A0A3Q0KEB3_SCHMA Loading...

Tubulin gamma chain

Tubulin is the major constituent of microtubules, protein filaments consisting of alpha- and beta-tubulin heterodimers. Gamma-tubulin is a key component of the gamma-tubulin ring complex (gTuRC) which mediates microtubule nucleation. The gTuRC regulates the minus-end nucleation of alpha-beta tubulin heterodimers that grow into microtubule protafilaments, a critical step in centrosome duplication and spindle formation.

AlphaFold DB , UniProt , Accession A0A3Q0KEB3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 453 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M87.6Confident94.8Very high70 Ų7030.5 Ų30.535%0.34516%0.155SC..  0-64.30-168.5178.858.800112.5F3 W4 K5 I59M1-F3 PolarHBondContact O-N 2.92Å; M1-F3 VanDerWaalsContact O-N 3.13Å; M1-W4 PolarHBondContact O-N 3.17Å; M1-K5 HydrophobicContact CG-CD 4.4Å; M1-K5 HydrophobicContact CG-CG 4.32Å; M1-K5 PolarHBondContact O-N 3.38Å; M1-I59 HydrophobicContact CB-CG1 4.27Å
2E92.6Very high94.9Very high36 Ų3628.1 Ų28.117%0.16814%0.144CC..Hα-helixtrans-56-31.9-175.3-64-54.1124.500114.5K5 Q6 N211 S215E2-K5 IonicContact OE1-NZ 3.43Å; E2-K5 PolarHBondContact OE1-NZ 2.86Å; E2-K5 IonicContact OE2-NZ 2.97Å; E2-Q6 WeakPolarHBondContact O-CB 3.35Å; E2-Q6 PolarHBondContact O-N 3.45Å; E2-Q6 VanDerWaalsContact O-N 3.09Å; E2-N211 HydrophobicContact CB-CB 4.29Å; E2-N211 HydrophobicContact CG-CB 3.89Å; E2-S215 VanDerWaalsContact C-OG 3.3Å; E2-S215 PolarHBondContact O-OG 3.09Å
3F95.6Very high95Very high23 Ų2326.5 Ų26.510%0.10114%0.136CC..Hα-helixtrans-60.6-51.2171.5176-115.8000112.8M1 K5 Q6 L7 F33 S215 M218M1-F3 PolarHBondContact O-N 2.92Å; M1-F3 VanDerWaalsContact O-N 3.13Å; F3-K5 VanDerWaalsContact C-N 3.34Å; F3-K5 PolarHBondContact O-N 3.35Å; F3-Q6 WeakPolarHBondContact O-CB 3.41Å; F3-Q6 PolarHBondContact O-N 3.09Å; F3-Q6 VanDerWaalsContact O-N 3.13Å; F3-L7 HydrophobicContact CD1-CD1 4.41Å; F3-L7 HydrophobicContact CD2-CG 4.38Å; F3-L7 HydrophobicContact CE1-CD1 3.67Å; F3-L7 HydrophobicContact CE1-CG 4.28Å; F3-L7 HydrophobicContact CE2-CD1 4.03Å; F3-L7 HydrophobicContact CE2-CD2 4.01Å; F3-L7 HydrophobicContact CE2-CG 3.94Å; F3-L7 HydrophobicContact CZ-CD1 3.46Å; F3-L7 VanDerWaalsContact CZ-CD1 3.46Å; F3-L7 HydrophobicContact CZ-CD2 4.22Å; F3-L7 HydrophobicContact CZ-CG 3.9Å; F3-L7 PolarHBondContact O-N 3.37Å; F3-F33 HydrophobicContact CE1-CD1 4.49Å; F3-F33 HydrophobicContact CE1-CE1 4.36Å; F3-F33 HydrophobicContact CZ-CE1 4.19Å; F3-F33 HydrophobicContact CZ-CZ 4.32Å; F3-S215 VanDerWaalsContact CA-OG 3.25Å; F3-S215 WeakPolarHBondContact CA-OG 3.48Å; F3-S215 PolarHBondContact N-OG 3.05Å; F3-M218 HydrophobicContact CB-CE 4.32Å; F3-M218 HydrophobicContact CB-SD 4.47Å; F3-M218 HydrophobicContact CD1-CE 4.06Å; F3-M218 HydrophobicContact CD2-CB 3.54Å; F3-M218 HydrophobicContact CD2-CE 4.04Å; F3-M218 HydrophobicContact CD2-SD 4.41Å; F3-M218 HydrophobicContact CE1-CE 4.37Å; F3-M218 HydrophobicContact CE2-CB 3.63Å; F3-M218 HydrophobicContact CE2-CE 4.35Å; F3-M218 HydrophobicContact CG-CB 4.43Å; F3-M218 HydrophobicContact CG-CE 3.87Å; F3-M218 HydrophobicContact CG-SD 4.44Å; F3-M218 HydrophobicContact CZ-CE 4.49Å
4W96.1Very high95.1Very high26 Ų2624.9 Ų24.910%0.09813%0.129CC..Hα-helixtrans-63.6-38.9178.6-65.1117.6000112.4M1 Q6 L7 C8 F33 F34 P44 A46 L67 Y68M1-W4 PolarHBondContact O-N 3.17Å; W4-Q6 VanDerWaalsContact C-N 3.29Å; W4-Q6 PolarHBondContact O-N 3.3Å; W4-L7 HydrophobicContact CE3-CD1 4.09Å; W4-L7 HydrophobicContact CZ3-CD1 4Å; W4-L7 PolarHBondContact O-N 3.01Å; W4-C8 WeakPolarHBondContact O-CB 3.36Å; W4-C8 PolarHBondContact O-N 2.92Å; W4-C8 PolarHBondContact O-SG 3.08Å; W4-F33 HydrophobicContact CH2-CB 4.33Å; W4-F33 HydrophobicContact CH2-CD1 4.04Å; W4-F33 HydrophobicContact CZ3-CB 3.97Å; W4-F33 HydrophobicContact CZ3-CD1 4.36Å; W4-F34 HydrophobicContact CE3-CE1 4.35Å; W4-F34 HydrophobicContact CE3-CZ 4.13Å; W4-F34 HydrophobicContact CZ3-CE1 4.47Å; W4-F34 HydrophobicContact CZ3-CZ 4.29Å; W4-P44 HydrophobicContact CD2-CB 4.05Å; W4-P44 HydrophobicContact CD2-CG 4.32Å; W4-P44 HydrophobicContact CE3-CB 3.72Å; W4-P44 HydrophobicContact CE3-CG 3.98Å; W4-P44 HydrophobicContact CH2-CB 3.79Å; W4-P44 HydrophobicContact CZ2-CB 4.13Å; W4-P44 HydrophobicContact CZ3-CB 3.56Å; W4-P44 HydrophobicContact CZ3-CG 4.25Å; W4-A46 HydrophobicContact CH2-CB 4.08Å; W4-A46 HydrophobicContact CZ2-CB 3.4Å; W4-A46 VanDerWaalsContact CZ2-CB 3.4Å; W4-L67 HydrophobicContact CB-CD2 4.42Å; W4-Y68 AromaticContact CD1-CE1 3.63Å; W4-Y68 AromaticContact CD1-CZ 3.88Å; W4-Y68 VanDerWaalsContact CD1-OH 3.25Å; W4-Y68 HydrophobicContact CG-CE1 4.09Å; W4-Y68 AromaticContact NE1-CE1 3.96Å
5K95.3Very high95.2Very high53 Ų5325.5 Ų25.523%0.2313%0.134CC..Hα-helixtrans-57.3-44.5172.3-62.3-172.8176162.40111.9M1 E2 F3 C8 A9 Y64M1-K5 HydrophobicContact CG-CD 4.4Å; M1-K5 HydrophobicContact CG-CG 4.32Å; M1-K5 PolarHBondContact O-N 3.38Å; E2-K5 IonicContact OE1-NZ 3.43Å; E2-K5 PolarHBondContact OE1-NZ 2.86Å; E2-K5 IonicContact OE2-NZ 2.97Å; F3-K5 VanDerWaalsContact C-N 3.34Å; F3-K5 PolarHBondContact O-N 3.35Å; K5-C8 PolarHBondContact O-N 2.8Å; K5-A9 WeakPolarHBondContact O-CB 3.37Å; K5-A9 PolarHBondContact O-N 3.32Å; K5-Y64 HydrophobicContact CB-CE1 4.41Å; K5-Y64 HydrophobicContact CB-CE2 4.47Å; K5-Y64 HydrophobicContact CD-CD2 4.26Å; K5-Y64 HydrophobicContact CD-CE2 3.79Å; K5-Y64 HydrophobicContact CG-CD1 4.39Å; K5-Y64 HydrophobicContact CG-CD2 3.97Å; K5-Y64 HydrophobicContact CG-CE1 4.01Å; K5-Y64 HydrophobicContact CG-CE2 3.58Å; K5-Y64 HydrophobicContact CG-CG 4.36Å
6Q95.1Very high95.1Very high62 Ų6228.1 Ų28.129%0.2915%0.145SC..Hα-helixtrans-64.4-44178.3-176.363.334.200111.4E2 F3 W4 A9 E10 S215E2-Q6 WeakPolarHBondContact O-CB 3.35Å; E2-Q6 PolarHBondContact O-N 3.45Å; E2-Q6 VanDerWaalsContact O-N 3.09Å; F3-Q6 WeakPolarHBondContact O-CB 3.41Å; F3-Q6 PolarHBondContact O-N 3.09Å; F3-Q6 VanDerWaalsContact O-N 3.13Å; W4-Q6 VanDerWaalsContact C-N 3.29Å; W4-Q6 PolarHBondContact O-N 3.3Å; Q6-A9 PolarHBondContact O-N 3.08Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.37Å; Q6-E10 PolarHBondContact NE2-OE1 3.1Å; Q6-E10 WeakPolarHBondContact O-CB 3.32Å; Q6-E10 VanDerWaalsContact O-CG 3.31Å; Q6-E10 WeakPolarHBondContact O-CG 3.38Å; Q6-E10 PolarHBondContact O-N 3.47Å; Q6-S215 VanDerWaalsContact CB-OG 3.25Å; Q6-S215 WeakPolarHBondContact CB-OG 3.49Å
7L96.7Very high95.1Very high0 Ų026.4 Ų26.40%014%0.137CC..Hα-helixtrans-64.6-43.3176.3-67.3-164.7000112.3F3 W4 A9 E10 H11 F33 F34 R226F3-L7 HydrophobicContact CD1-CD1 4.41Å; F3-L7 HydrophobicContact CD2-CG 4.38Å; F3-L7 HydrophobicContact CE1-CD1 3.67Å; F3-L7 HydrophobicContact CE1-CG 4.28Å; F3-L7 HydrophobicContact CE2-CD1 4.03Å; F3-L7 HydrophobicContact CE2-CD2 4.01Å; F3-L7 HydrophobicContact CE2-CG 3.94Å; F3-L7 HydrophobicContact CZ-CD1 3.46Å; F3-L7 VanDerWaalsContact CZ-CD1 3.46Å; F3-L7 HydrophobicContact CZ-CD2 4.22Å; F3-L7 HydrophobicContact CZ-CG 3.9Å; F3-L7 PolarHBondContact O-N 3.37Å; W4-L7 HydrophobicContact CE3-CD1 4.09Å; W4-L7 HydrophobicContact CZ3-CD1 4Å; W4-L7 PolarHBondContact O-N 3.01Å; L7-A9 PolarHBondContact O-N 3.44Å; L7-E10 PolarHBondContact O-N 3.48Å; L7-H11 WeakPolarHBondContact O-CB 3.5Å; L7-H11 PolarHBondContact O-CD2 3.12Å; L7-H11 PolarHBondContact O-N 3.36Å; L7-F33 HydrophobicContact CD1-CB 3.9Å; L7-F33 HydrophobicContact CD1-CD1 4.23Å; L7-F33 HydrophobicContact CD1-CD2 3.96Å; L7-F33 HydrophobicContact CD1-CG 3.76Å; L7-F34 HydrophobicContact CB-CE2 4.01Å; L7-F34 HydrophobicContact CB-CZ 3.96Å; L7-F34 HydrophobicContact CD1-CE2 4.39Å; L7-R226 VanDerWaalsContact CD2-CZ 3.48Å
8C97.1Very high95.1Very high0 Ų028.1 Ų28.10%015%0.149CC..Hα-helixtrans-55.8-50174.2-75.70000111.1W4 K5 E10 H11 G12 I13 Y64 L67W4-C8 WeakPolarHBondContact O-CB 3.36Å; W4-C8 PolarHBondContact O-N 2.92Å; W4-C8 PolarHBondContact O-SG 3.08Å; K5-C8 PolarHBondContact O-N 2.8Å; C8-E10 VanDerWaalsContact C-N 3.31Å; C8-E10 PolarHBondContact O-N 3.38Å; C8-H11 CarbonylContact O-C 3.52Å; C8-H11 PolarHBondContact O-N 2.67Å; C8-G12 PolarHBondContact O-N 2.93Å; C8-I13 CarbonylContact C-O 3.57Å; C8-I13 HydrophobicContact CB-CB 4.28Å; C8-I13 WeakPolarHBondContact CB-O 3.23Å; C8-I13 PolarHBondContact O-N 2.69Å; C8-Y64 HydrophobicContact CB-CE1 4.26Å; C8-L67 VanDerWaalsContact SG-CD2 3.59Å
9A95.3Very high95.1Very high48 Ų4830.4 Ų30.440%0.39716%0.161SC..Hα-helixtrans-60.4-40.2176.800000112.6K5 Q6 L7 G12 V349K5-A9 WeakPolarHBondContact O-CB 3.37Å; K5-A9 PolarHBondContact O-N 3.32Å; Q6-A9 PolarHBondContact O-N 3.08Å; L7-A9 PolarHBondContact O-N 3.44Å; A9-G12 PolarHBondContact O-N 3.4Å; A9-V349 HydrophobicContact CB-CG2 4.18Å; A9-V349 WeakPolarHBondContact O-CG2 3.41Å
10E95Very high95.1Very high17 Ų1732.7 Ų32.78%0.07917%0.17CC..Hα-helixtrans-68.3-33.9178.6-77.5179.9-157.400113.2Q6 L7 C8 S219 R226 Y227 S346 Y348 V349Q6-E10 WeakPolarHBondContact CG-OE1 3.37Å; Q6-E10 PolarHBondContact NE2-OE1 3.1Å; Q6-E10 WeakPolarHBondContact O-CB 3.32Å; Q6-E10 VanDerWaalsContact O-CG 3.31Å; Q6-E10 WeakPolarHBondContact O-CG 3.38Å; Q6-E10 PolarHBondContact O-N 3.47Å; L7-E10 PolarHBondContact O-N 3.48Å; C8-E10 VanDerWaalsContact C-N 3.31Å; C8-E10 PolarHBondContact O-N 3.38Å; E10-S219 PolarHBondContact OE1-OG 3.27Å; E10-S219 PolarHBondContact OE2-OG 2.62Å; E10-R226 IonicContact OE2-CZ 3.15Å; E10-R226 IonicContact OE2-NH1 2.71Å; E10-R226 PolarHBondContact OE2-NH1 3.13Å; E10-R226 IonicContact OE2-NH2 2.73Å; E10-R226 PolarHBondContact OE2-NH2 3.48Å; E10-Y227 WeakPolarHBondContact CB-OH 3Å; E10-Y227 PolarHBondContact O-OH 2.9Å; E10-S346 WeakPolarHBondContact CA-OG 3.29Å; E10-S346 VanDerWaalsContact O-CB 3.29Å; E10-S346 WeakPolarHBondContact O-CB 3.39Å; E10-S346 PolarHBondContact O-OG 3.46Å; E10-Y348 VanDerWaalsContact O-CD2 3.25Å; E10-Y348 WeakPolarHBondContact O-CD2 3.33Å; E10-V349 HydrophobicContact CB-CG2 4.47Å; E10-V349 HydrophobicContact CG-CG2 3.85Å
11H96.2Very high95Very high0 Ų040.1 Ų40.10%020%0.204CC..Hα-helixtrans-92.8-4.6178.8-70.9-67.1000114L7 C8 I13 D28 K30 F34 R226 Y348L7-H11 WeakPolarHBondContact O-CB 3.5Å; L7-H11 PolarHBondContact O-CD2 3.12Å; L7-H11 PolarHBondContact O-N 3.36Å; C8-H11 CarbonylContact O-C 3.52Å; C8-H11 PolarHBondContact O-N 2.67Å; H11-I13 HydrophobicContact CB-CD1 3.69Å; H11-I13 HydrophobicContact CB-CG1 3.84Å; H11-D28 IonicContact CE1-OD2 3.56Å; H11-D28 IonicContact CG-OD2 3.69Å; H11-D28 IonicContact ND1-OD2 2.67Å; H11-D28 PolarHBondContact ND1-OD2 2.9Å; H11-K30 HydrophobicContact CB-CG 4.26Å; H11-F34 AromaticContact CD2-CE2 3.88Å; H11-R226 WeakPolarHBondContact NE2-CD 3.32Å; H11-R226 PolarHBondContact NE2-NH1 3.35Å; H11-Y348 WeakPolarHBondContact O-CE2 3.05Å
12G96Very high95.3Very high2 Ų242.4 Ų42.42%0.02121%0.212CC..THydrogen-bonded Turntrans6936.9-176.600000112.3C8 A9 E20C8-G12 PolarHBondContact O-N 2.93Å; A9-G12 PolarHBondContact O-N 3.4Å; G12-E20 WeakPolarHBondContact O-CB 3.24Å; G12-E20 WeakPolarHBondContact O-CG 3.4Å; G12-E20 PolarHBondContact O-N 2.74Å
13I96.6Very high95.1Very high7 Ų740.9 Ų40.94%0.03621%0.206CC..BIsolated β-bridgetrans-102.2131.1178.4-55.3170.2000108C8 H11 T18 L19 F34 Y42C8-I13 CarbonylContact C-O 3.57Å; C8-I13 HydrophobicContact CB-CB 4.28Å; C8-I13 WeakPolarHBondContact CB-O 3.23Å; C8-I13 PolarHBondContact O-N 2.69Å; H11-I13 HydrophobicContact CB-CD1 3.69Å; H11-I13 HydrophobicContact CB-CG1 3.84Å; I13-T18 CarbonylContact C-O 3.59Å; I13-T18 WeakPolarHBondContact CA-O 3.43Å; I13-L19 HydrophobicContact CG1-CD1 4.45Å; I13-F34 HydrophobicContact CD1-CD1 4.1Å; I13-F34 HydrophobicContact CD1-CD2 4.06Å; I13-F34 HydrophobicContact CD1-CE1 4.06Å; I13-F34 HydrophobicContact CD1-CE2 4.04Å; I13-F34 HydrophobicContact CD1-CG 4.1Å; I13-F34 HydrophobicContact CD1-CZ 4.04Å; I13-Y42 HydrophobicContact CD1-CD1 4.44Å; I13-Y42 HydrophobicContact CD1-CD2 4.33Å; I13-Y42 HydrophobicContact CD1-CG 3.95Å; I13-Y42 HydrophobicContact CG1-CD2 4.32Å; I13-Y42 HydrophobicContact CG1-CG 4.43Å
14S96.2Very high94.5Very high5 Ų545.3 Ų45.34%0.03524%0.235CC..  trans-69.7165.5175.975.20000111.6E16 G17 T18 E20S14-E16 PolarHBondContact O-N 3.09Å; S14-E16 VanDerWaalsContact O-N 3.13Å; S14-E16 PolarHBondContact OG-N 3.2Å; S14-G17 PolarHBondContact O-N 2.82Å; S14-G17 PolarHBondContact OG-N 2.68Å; S14-T18 WeakPolarHBondContact CB-OG1 3.37Å; S14-T18 PolarHBondContact N-O 3.36Å; S14-T18 PolarHBondContact OG-N 2.7Å; S14-T18 VanDerWaalsContact OG-N 3.08Å; S14-T18 PolarHBondContact OG-O 3.11Å; S14-T18 PolarHBondContact OG-OG1 3.24Å; S14-E20 WeakPolarHBondContact CB-OE1 3.33Å
15P96Very high93.9Very high33 Ų3345.6 Ų45.621%0.21424%0.241CC..THydrogen-bonded Turntrans-58.5-21.6172.9-23.735.2000114.4P63 Y64 L67P15-P63 HydrophobicContact CB-CB 4.38Å; P15-P63 VanDerWaalsContact CB-O 3.29Å; P15-P63 WeakPolarHBondContact CB-O 3.44Å; P15-Y64 HydrophobicContact CB-CD1 3.85Å; P15-Y64 HydrophobicContact CB-CD2 4.21Å; P15-Y64 HydrophobicContact CB-CE1 3.87Å; P15-Y64 HydrophobicContact CB-CE2 4.17Å; P15-Y64 HydrophobicContact CB-CG 4.05Å; P15-Y64 HydrophobicContact CG-CE1 4.05Å; P15-Y64 HydrophobicContact CG-CE2 4.14Å; P15-L67 WeakPolarHBondContact O-CB 3.36Å
16E94Very high93.2Very high67 Ų6750.8 Ų50.831%0.31327%0.271SS..THydrogen-bonded Turntrans-83-7.7175.1-76.369.2-156.300113.8S14 H41 R66S14-E16 PolarHBondContact O-N 3.09Å; S14-E16 VanDerWaalsContact O-N 3.13Å; S14-E16 PolarHBondContact OG-N 3.2Å; E16-H41 PolarHBondContact O-CD2 2.77Å; E16-H41 VanDerWaalsContact O-CD2 3.25Å; E16-R66 IonicContact OE1-CZ 2.98Å; E16-R66 IonicContact OE1-NH2 2.62Å; E16-R66 PolarHBondContact OE1-NH2 2.87Å
17G95.7Very high92.8Very high0 Ų050 Ų500%028%0.276CS..SBendtrans87.66.9-175.900000113.9S14 H41 Y42S14-G17 PolarHBondContact O-N 2.82Å; S14-G17 PolarHBondContact OG-N 2.68Å; G17-H41 CarbonylContact O-C 3.51Å; G17-H41 WeakPolarHBondContact O-CA 3.47Å; G17-Y42 WeakPolarHBondContact CA-O 3.43Å; G17-Y42 PolarHBondContact O-N 2.79Å
18T95.7Very high92.5Very high57 Ų5750.7 Ų50.735%0.3528%0.28SS..PPolyproline II helixtrans-84.7143.9175.459.50000111.2I13 S14 E20 H41I13-T18 CarbonylContact C-O 3.59Å; I13-T18 WeakPolarHBondContact CA-O 3.43Å; S14-T18 WeakPolarHBondContact CB-OG1 3.37Å; S14-T18 PolarHBondContact N-O 3.36Å; S14-T18 PolarHBondContact OG-N 2.7Å; S14-T18 VanDerWaalsContact OG-N 3.08Å; S14-T18 PolarHBondContact OG-O 3.11Å; S14-T18 PolarHBondContact OG-OG1 3.24Å; T18-E20 PolarHBondContact O-N 3.47Å; T18-H41 VanDerWaalsContact CG2-CD2 3.48Å; T18-H41 WeakPolarHBondContact CG2-CD2 3.39Å; T18-H41 WeakPolarHBondContact CG2-NE2 3.46Å
19L94.9Very high92.3Very high72 Ų7254.6 Ų54.638%0.37729%0.294SS..BIsolated β-bridgetrans-72.2128.3171.7-165.665.7000109.7I13 A23 K30 Y42I13-L19 HydrophobicContact CG1-CD1 4.45Å; L19-A23 HydrophobicContact CD1-CB 3.67Å; L19-A23 HydrophobicContact CG-CB 3.9Å; L19-K30 HydrophobicContact CD1-CD 4.44Å; L19-K30 VanDerWaalsContact CD1-CE 3.48Å; L19-Y42 HydrophobicContact CB-CE2 4.07Å; L19-Y42 HydrophobicContact CD1-CE2 4.26Å
20E95.1Very high92.3Very high76 Ų7653.2 Ų53.236%0.35528%0.279SS..PPolyproline II helixtrans-68.3147.6177.4-66.8-7317800111G12 S14 T18 F22 A23G12-E20 WeakPolarHBondContact O-CB 3.24Å; G12-E20 WeakPolarHBondContact O-CG 3.4Å; G12-E20 PolarHBondContact O-N 2.74Å; S14-E20 WeakPolarHBondContact CB-OE1 3.33Å; T18-E20 PolarHBondContact O-N 3.47Å; E20-F22 HydrophobicContact CB-CD1 3.79Å; E20-F22 HydrophobicContact CB-CD2 4.42Å; E20-F22 HydrophobicContact CB-CE1 3.36Å; E20-F22 HydrophobicContact CB-CE2 4.03Å; E20-F22 HydrophobicContact CB-CG 4.3Å; E20-F22 HydrophobicContact CB-CZ 3.49Å; E20-F22 VanDerWaalsContact CB-CZ 3.49Å; E20-F22 HydrophobicContact CG-CE1 3.69Å; E20-F22 HydrophobicContact CG-CZ 3.7Å; E20-F22 PolarHBondContact O-N 3.2Å; E20-F22 VanDerWaalsContact O-N 3.14Å; E20-A23 HydrophobicContact CB-CB 4.36Å; E20-A23 WeakPolarHBondContact O-CA 3.45Å; E20-A23 VanDerWaalsContact O-CB 3.25Å; E20-A23 WeakPolarHBondContact O-CB 3.33Å; E20-A23 PolarHBondContact O-N 3.16Å
21E93Very high92.2Very high189 Ų18956 Ų5688%0.88330%0.295SS*.THydrogen-bonded Turntrans-60.6-30.2-175.9-65-175.2168.300113.4A23 T24E21-A23 PolarHBondContact O-N 3.19Å; E21-T24 WeakPolarHBondContact O-CG2 3.08Å
22F92.4Very high92.2Very high117 Ų11757.7 Ų57.751%0.51331%0.305SS..THydrogen-bonded Turntrans-74.1-16.4176.663.5-105.1000112.6E20 T24 Y348E20-F22 HydrophobicContact CB-CD1 3.79Å; E20-F22 HydrophobicContact CB-CD2 4.42Å; E20-F22 HydrophobicContact CB-CE1 3.36Å; E20-F22 HydrophobicContact CB-CE2 4.03Å; E20-F22 HydrophobicContact CB-CG 4.3Å; E20-F22 HydrophobicContact CB-CZ 3.49Å; E20-F22 VanDerWaalsContact CB-CZ 3.49Å; E20-F22 HydrophobicContact CG-CE1 3.69Å; E20-F22 HydrophobicContact CG-CZ 3.7Å; E20-F22 PolarHBondContact O-N 3.2Å; E20-F22 VanDerWaalsContact O-N 3.14Å; F22-T24 PolarHBondContact O-N 3.04Å; F22-T24 PolarHBondContact O-OG1 3.17Å; F22-Y348 AromaticContact CD2-CD1 3.64Å; F22-Y348 HydrophobicContact CD2-CD1 3.64Å; F22-Y348 HydrophobicContact CD2-CE1 4.19Å; F22-Y348 HydrophobicContact CD2-CG 4.12Å; F22-Y348 AromaticContact CE2-CD1 3.79Å; F22-Y348 HydrophobicContact CE2-CD1 3.79Å; F22-Y348 HydrophobicContact CE2-CD2 4.49Å; F22-Y348 AromaticContact CE2-CG 3.76Å; F22-Y348 HydrophobicContact CE2-CG 3.76Å
23A90.2Very high92.2Very high5 Ų558.7 Ų58.74%0.04131%0.309CS..  trans-82.260.3-173.200000112.1L19 E20 E21 Y348L19-A23 HydrophobicContact CD1-CB 3.67Å; L19-A23 HydrophobicContact CG-CB 3.9Å; E20-A23 HydrophobicContact CB-CB 4.36Å; E20-A23 WeakPolarHBondContact O-CA 3.45Å; E20-A23 VanDerWaalsContact O-CB 3.25Å; E20-A23 WeakPolarHBondContact O-CB 3.33Å; E20-A23 PolarHBondContact O-N 3.16Å; E21-A23 PolarHBondContact O-N 3.19Å; A23-Y348 VanDerWaalsContact C-OH 3.27Å; A23-Y348 VanDerWaalsContact CA-CZ 3.45Å; A23-Y348 WeakPolarHBondContact CA-OH 3.17Å; A23-Y348 HydrophobicContact CB-CE1 4.08Å; A23-Y348 HydrophobicContact CB-CE2 3.94Å
24T82.7Confident92.2Very high116 Ų11658.4 Ų58.471%0.71231%0.308SS*.  trans-89.2-4.9-172.352.30000114.6E21 F22E21-T24 WeakPolarHBondContact O-CG2 3.08Å; F22-T24 PolarHBondContact O-N 3.04Å; F22-T24 PolarHBondContact O-OG1 3.17Å
25S82.3Confident92.2Very high31 Ų3160.8 Ų60.822%0.21732%0.316CS..  trans-86.7130.9-176.21440000111.4A27 Y348S25-A27 VanDerWaalsContact C-N 3.3Å; S25-A27 WeakPolarHBondContact OG-CB 3.41Å; S25-A27 PolarHBondContact OG-N 3.02Å; S25-A27 VanDerWaalsContact OG-N 3.12Å; S25-Y348 WeakPolarHBondContact CB-OH 3.48Å; S25-Y348 PolarHBondContact N-OH 3.45Å; S25-Y348 VanDerWaalsContact N-OH 3.07Å; S25-Y348 PolarHBondContact O-OH 2.8Å
26D82Confident92.1Very high162 Ų16264.5 Ų64.587%0.86633%0.33SS*.  trans-9012.2170.6-61-39.5000113.2D28D26-D28 PolarHBondContact O-N 3.32Å
27A84.8Confident92Very high47 Ų4762.6 Ų62.639%0.38833%0.327SS..  trans-76.5-6-175.300000114.3S25S25-A27 VanDerWaalsContact C-N 3.3Å; S25-A27 WeakPolarHBondContact OG-CB 3.41Å; S25-A27 PolarHBondContact OG-N 3.02Å; S25-A27 VanDerWaalsContact OG-N 3.12Å
28D92.1Very high91.8Very high14 Ų1471.2 Ų71.28%0.07537%0.373CS..SBendtrans-116.7144.6-175.968.2-61000112.8H11 D26 K30 R226 Y227H11-D28 IonicContact CE1-OD2 3.56Å; H11-D28 IonicContact CG-OD2 3.69Å; H11-D28 IonicContact ND1-OD2 2.67Å; H11-D28 PolarHBondContact ND1-OD2 2.9Å; D26-D28 PolarHBondContact O-N 3.32Å; D28-K30 PolarHBondContact O-N 3.29Å; D28-K30 IonicContact OD1-NZ 2.88Å; D28-K30 PolarHBondContact OD1-NZ 3.29Å; D28-K30 WeakPolarHBondContact OD2-CE 3.48Å; D28-K30 WeakPolarHBondContact OD2-CG 3.46Å; D28-K30 IonicContact OD2-NZ 2.79Å; D28-K30 PolarHBondContact OD2-NZ 3.27Å; D28-R226 CarbonylContact C-O 3.48Å; D28-R226 WeakPolarHBondContact CA-O 3.38Å; D28-Y227 HydrophobicContact CB-CD1 3.7Å; D28-Y227 HydrophobicContact CB-CE1 3.4Å; D28-Y227 VanDerWaalsContact CB-CE1 3.4Å
29R93.2Very high91.6Very high82 Ų8273.5 Ų73.531%0.30938%0.383SS..  trans-94.789.7175.7-77.4-168.562.9-163.9-2.5110.4D31 V32 R226 P228R29-D31 VanDerWaalsContact C-N 3.25Å; R29-D31 VanDerWaalsContact CA-OD1 3.27Å; R29-D31 WeakPolarHBondContact CA-OD1 3.14Å; R29-D31 WeakPolarHBondContact CB-OD1 3.27Å; R29-D31 IonicContact CZ-OD2 3.61Å; R29-D31 IonicContact NE-OD1 3.82Å; R29-D31 PolarHBondContact NE-OD1 2.99Å; R29-D31 IonicContact NE-OD2 3.85Å; R29-D31 PolarHBondContact NE-OD2 2.9Å; R29-D31 IonicContact NH2-OD2 3.76Å; R29-D31 PolarHBondContact NH2-OD2 2.88Å; R29-V32 HydrophobicContact CB-CG2 3.83Å; R29-R226 PolarHBondContact N-O 2.9Å; R29-P228 HydrophobicContact CG-CG 4.09Å
30K94Very high91.4Very high18 Ų1872.7 Ų72.78%0.07839%0.386CS..G310 helixtrans-67.1-32.1174.4-60.6176.5-175.758.40111H11 L19 D28 V32 F33 F34 Y42H11-K30 HydrophobicContact CB-CG 4.26Å; L19-K30 HydrophobicContact CD1-CD 4.44Å; L19-K30 VanDerWaalsContact CD1-CE 3.48Å; D28-K30 PolarHBondContact O-N 3.29Å; D28-K30 IonicContact OD1-NZ 2.88Å; D28-K30 PolarHBondContact OD1-NZ 3.29Å; D28-K30 WeakPolarHBondContact OD2-CE 3.48Å; D28-K30 WeakPolarHBondContact OD2-CG 3.46Å; D28-K30 IonicContact OD2-NZ 2.79Å; D28-K30 PolarHBondContact OD2-NZ 3.27Å; K30-V32 PolarHBondContact O-N 3.42Å; K30-F33 PolarHBondContact O-N 3.1Å; K30-F34 WeakPolarHBondContact O-CB 3.45Å; K30-F34 PolarHBondContact O-N 2.93Å; K30-Y42 HydrophobicContact CB-CD1 4.27Å; K30-Y42 HydrophobicContact CB-CE1 3.91Å; K30-Y42 HydrophobicContact CD-CD1 4.24Å; K30-Y42 HydrophobicContact CD-CE1 3.59Å; K30-Y42 HydrophobicContact CD-CE2 4.18Å; K30-Y42 HydrophobicContact CG-CE1 4.38Å
31D93.7Very high91.4Very high75 Ų7571.7 Ų71.740%0.40138%0.381SS..G310 helixtrans-55.5-23.9-177.861.4-59.3000114.7R29 F34 R45R29-D31 VanDerWaalsContact C-N 3.25Å; R29-D31 VanDerWaalsContact CA-OD1 3.27Å; R29-D31 WeakPolarHBondContact CA-OD1 3.14Å; R29-D31 WeakPolarHBondContact CB-OD1 3.27Å; R29-D31 IonicContact CZ-OD2 3.61Å; R29-D31 IonicContact NE-OD1 3.82Å; R29-D31 PolarHBondContact NE-OD1 2.99Å; R29-D31 IonicContact NE-OD2 3.85Å; R29-D31 PolarHBondContact NE-OD2 2.9Å; R29-D31 IonicContact NH2-OD2 3.76Å; R29-D31 PolarHBondContact NH2-OD2 2.88Å; D31-F34 CarbonylContact C-O 3.36Å; D31-F34 WeakPolarHBondContact CA-O 3.42Å; D31-R45 PolarHBondContact O-NE 3.44Å; D31-R45 VanDerWaalsContact O-NE 3.11Å
32V94.8Very high91.5Very high37 Ų3764.3 Ų64.322%0.22435%0.346CS..G310 helixtrans-62.8-41.7178.8178.40000111.9R29 K30 L225 R226R29-V32 HydrophobicContact CB-CG2 3.83Å; K30-V32 PolarHBondContact O-N 3.42Å; V32-L225 HydrophobicContact CG1-CB 4.09Å; V32-L225 WeakPolarHBondContact CG2-O 3.18Å; V32-R226 HydrophobicContact CB-CG 4.3Å; V32-R226 HydrophobicContact CG1-CG 4.31Å
33F96.5Very high91.7Very high22 Ų2259.7 Ų59.710%0.09633%0.326CS..THydrogen-bonded Turntrans-123.2-10.4-176.5-76.6-75.7000113.8F3 W4 L7 K30 P44 R45 T222 R226F3-F33 HydrophobicContact CE1-CD1 4.49Å; F3-F33 HydrophobicContact CE1-CE1 4.36Å; F3-F33 HydrophobicContact CZ-CE1 4.19Å; F3-F33 HydrophobicContact CZ-CZ 4.32Å; W4-F33 HydrophobicContact CH2-CB 4.33Å; W4-F33 HydrophobicContact CH2-CD1 4.04Å; W4-F33 HydrophobicContact CZ3-CB 3.97Å; W4-F33 HydrophobicContact CZ3-CD1 4.36Å; L7-F33 HydrophobicContact CD1-CB 3.9Å; L7-F33 HydrophobicContact CD1-CD1 4.23Å; L7-F33 HydrophobicContact CD1-CD2 3.96Å; L7-F33 HydrophobicContact CD1-CG 3.76Å; K30-F33 PolarHBondContact O-N 3.1Å; F33-P44 CarbonylContact O-C 3.53Å; F33-P44 WeakPolarHBondContact O-CA 3.49Å; F33-R45 PolarHBondContact O-N 2.96Å; F33-T222 HydrophobicContact CE2-CG2 4.17Å; F33-T222 HydrophobicContact CZ-CG2 3.74Å; F33-R226 VanDerWaalsContact CD2-CD 3.45Å; F33-R226 HydrophobicContact CD2-CG 3.79Å; F33-R226 HydrophobicContact CE2-CG 3.94Å
34F96.7Very high92.1Very high2 Ų259.5 Ų59.51%0.00933%0.325CS..EExtended strand (participates in β ladder)trans-127142.7178.6-58.2-93.6000109.6W4 L7 H11 I13 K30 D31 Y42 I43 P44W4-F34 HydrophobicContact CE3-CE1 4.35Å; W4-F34 HydrophobicContact CE3-CZ 4.13Å; W4-F34 HydrophobicContact CZ3-CE1 4.47Å; W4-F34 HydrophobicContact CZ3-CZ 4.29Å; L7-F34 HydrophobicContact CB-CE2 4.01Å; L7-F34 HydrophobicContact CB-CZ 3.96Å; L7-F34 HydrophobicContact CD1-CE2 4.39Å; H11-F34 AromaticContact CD2-CE2 3.88Å; I13-F34 HydrophobicContact CD1-CD1 4.1Å; I13-F34 HydrophobicContact CD1-CD2 4.06Å; I13-F34 HydrophobicContact CD1-CE1 4.06Å; I13-F34 HydrophobicContact CD1-CE2 4.04Å; I13-F34 HydrophobicContact CD1-CG 4.1Å; I13-F34 HydrophobicContact CD1-CZ 4.04Å; K30-F34 WeakPolarHBondContact O-CB 3.45Å; K30-F34 PolarHBondContact O-N 2.93Å; D31-F34 CarbonylContact C-O 3.36Å; D31-F34 WeakPolarHBondContact CA-O 3.42Å; F34-Y42 HydrophobicContact CB-CD1 4.02Å; F34-I43 CarbonylContact C-O 3.59Å; F34-I43 WeakPolarHBondContact CA-O 3.3Å; F34-P44 HydrophobicContact CD1-CG 4.13Å; F34-P44 HydrophobicContact CE1-CB 4.48Å; F34-P44 HydrophobicContact CE1-CG 3.85Å
35Y95.6Very high92.7Very high54 Ų5457 Ų5721%0.21230%0.302CS..EExtended strand (participates in β ladder)trans-104.3158.1158.765.9-90.7000109Y42 I43 R45 N69Y35-Y42 WeakPolarHBondContact O-CA 3.4Å; Y35-I43 HydrophobicContact CD1-CB 4.25Å; Y35-I43 WeakPolarHBondContact CD1-O 3.35Å; Y35-I43 HydrophobicContact CD2-CB 4.31Å; Y35-I43 HydrophobicContact CE1-CB 3.75Å; Y35-I43 HydrophobicContact CE1-CG2 3.68Å; Y35-I43 HydrophobicContact CE2-CB 3.81Å; Y35-I43 HydrophobicContact CE2-CG1 4.04Å; Y35-I43 HydrophobicContact CE2-CG2 4.31Å; Y35-I43 PolarHBondContact N-O 3.4Å; Y35-I43 PolarHBondContact O-N 3.46Å; Y35-I43 WeakPolarHBondContact OH-CG2 3.44Å; Y35-R45 HydrophobicContact CD1-CG 4.02Å; Y35-N69 PolarHBondContact OH-ND2 3.29Å
36Q94.1Very high93.4Very high111 Ų11156 Ų5652%0.51930%0.296SS..EExtended strand (participates in β ladder)trans-98.7124.9175-170.6169.232.500108.9A40 H41 Y42Q36-A40 PolarHBondContact NE2-O 2.94Å; Q36-H41 WeakPolarHBondContact CA-O 3.35Å; Q36-Y42 HydrophobicContact CB-CE1 4.35Å
37A92.8Very high94.1Very high28 Ų2850.6 Ų50.623%0.23127%0.268CS..  trans-76.3167.5173.700000111.4D39 A40 H41 I43A37-D39 WeakPolarHBondContact CB-OD1 3.4Å; A37-D39 PolarHBondContact O-N 3.09Å; A37-D39 VanDerWaalsContact O-N 3.17Å; A37-A40 WeakPolarHBondContact O-CA 3.44Å; A37-A40 PolarHBondContact O-N 3.06Å; A37-H41 PolarHBondContact N-O 3.33Å; A37-I43 HydrophobicContact CB-CG1 4.28Å
38D90.4Very high94.6Very high181 Ų18149.6 Ų49.697%0.96826%0.256SS*.THydrogen-bonded Turntrans-58.9-28.7-178.2-69.4-19.2000113.7A40D38-A40 PolarHBondContact O-N 3.02Å
39D91.7Very high94.7Very high105 Ų10551 Ų5156%0.56126%0.264SS*.THydrogen-bonded Turntrans-88.314.9176.869.2-5.2000113.1A37 H41A37-D39 WeakPolarHBondContact CB-OD1 3.4Å; A37-D39 PolarHBondContact O-N 3.09Å; A37-D39 VanDerWaalsContact O-N 3.17Å; D39-H41 VanDerWaalsContact C-N 3.26Å; D39-H41 PolarHBondContact O-N 3.37Å; D39-H41 IonicContact OD1-CG 3.25Å; D39-H41 PolarHBondContact OD1-N 3.36Å; D39-H41 IonicContact OD1-ND1 2.76Å; D39-H41 PolarHBondContact OD1-ND1 2.62Å; D39-H41 IonicContact OD2-CE1 3.39Å; D39-H41 PolarHBondContact OD2-CE1 3.11Å; D39-H41 IonicContact OD2-CG 2.75Å; D39-H41 IonicContact OD2-ND1 3.96Å; D39-H41 PolarHBondContact OD2-ND1 3.3Å
40A90.5Very high94.7Very high55 Ų5548.1 Ų48.146%0.45526%0.255SS..SBendtrans68.76.2179.600000116.2Q36 A37 D38Q36-A40 PolarHBondContact NE2-O 2.94Å; A37-A40 WeakPolarHBondContact O-CA 3.44Å; A37-A40 PolarHBondContact O-N 3.06Å; D38-A40 PolarHBondContact O-N 3.02Å
41H95.1Very high94.7Very high54 Ų5447.3 Ų47.325%0.2525%0.251CS..  trans-70.6139.2172.4-68.490.3000111.6E16 G17 T18 Q36 A37 D39 I43E16-H41 PolarHBondContact O-CD2 2.77Å; E16-H41 VanDerWaalsContact O-CD2 3.25Å; G17-H41 CarbonylContact O-C 3.51Å; G17-H41 WeakPolarHBondContact O-CA 3.47Å; T18-H41 VanDerWaalsContact CG2-CD2 3.48Å; T18-H41 WeakPolarHBondContact CG2-CD2 3.39Å; T18-H41 WeakPolarHBondContact CG2-NE2 3.46Å; Q36-H41 WeakPolarHBondContact CA-O 3.35Å; A37-H41 PolarHBondContact N-O 3.33Å; D39-H41 VanDerWaalsContact C-N 3.26Å; D39-H41 PolarHBondContact O-N 3.37Å; D39-H41 IonicContact OD1-CG 3.25Å; D39-H41 PolarHBondContact OD1-N 3.36Å; D39-H41 IonicContact OD1-ND1 2.76Å; D39-H41 PolarHBondContact OD1-ND1 2.62Å; D39-H41 IonicContact OD2-CE1 3.39Å; D39-H41 PolarHBondContact OD2-CE1 3.11Å; D39-H41 IonicContact OD2-CG 2.75Å; D39-H41 IonicContact OD2-ND1 3.96Å; D39-H41 PolarHBondContact OD2-ND1 3.3Å; H41-I43 HydrophobicContact CB-CD1 4.31Å
42Y96.3Very high94.6Very high34 Ų3447.1 Ų47.113%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-83.9123169.9-71.5-81.8000110.3I13 G17 L19 K30 F34 Y35 Q36I13-Y42 HydrophobicContact CD1-CD1 4.44Å; I13-Y42 HydrophobicContact CD1-CD2 4.33Å; I13-Y42 HydrophobicContact CD1-CG 3.95Å; I13-Y42 HydrophobicContact CG1-CD2 4.32Å; I13-Y42 HydrophobicContact CG1-CG 4.43Å; G17-Y42 WeakPolarHBondContact CA-O 3.43Å; G17-Y42 PolarHBondContact O-N 2.79Å; L19-Y42 HydrophobicContact CB-CE2 4.07Å; L19-Y42 HydrophobicContact CD1-CE2 4.26Å; K30-Y42 HydrophobicContact CB-CD1 4.27Å; K30-Y42 HydrophobicContact CB-CE1 3.91Å; K30-Y42 HydrophobicContact CD-CD1 4.24Å; K30-Y42 HydrophobicContact CD-CE1 3.59Å; K30-Y42 HydrophobicContact CD-CE2 4.18Å; K30-Y42 HydrophobicContact CG-CE1 4.38Å; F34-Y42 HydrophobicContact CB-CD1 4.02Å; Y35-Y42 WeakPolarHBondContact O-CA 3.4Å; Q36-Y42 HydrophobicContact CB-CE1 4.35Å
43I96.9Very high94.2Very high21 Ų2148 Ų4811%0.10825%0.254CS..EExtended strand (participates in β ladder)trans-115.9129.1-179.8-53.3-61.6000109.2F34 Y35 A37 H41 R45 N69F34-I43 CarbonylContact C-O 3.59Å; F34-I43 WeakPolarHBondContact CA-O 3.3Å; Y35-I43 HydrophobicContact CD1-CB 4.25Å; Y35-I43 WeakPolarHBondContact CD1-O 3.35Å; Y35-I43 HydrophobicContact CD2-CB 4.31Å; Y35-I43 HydrophobicContact CE1-CB 3.75Å; Y35-I43 HydrophobicContact CE1-CG2 3.68Å; Y35-I43 HydrophobicContact CE2-CB 3.81Å; Y35-I43 HydrophobicContact CE2-CG1 4.04Å; Y35-I43 HydrophobicContact CE2-CG2 4.31Å; Y35-I43 PolarHBondContact N-O 3.4Å; Y35-I43 PolarHBondContact O-N 3.46Å; Y35-I43 WeakPolarHBondContact OH-CG2 3.44Å; A37-I43 HydrophobicContact CB-CG1 4.28Å; H41-I43 HydrophobicContact CB-CD1 4.31Å; I43-R45 PolarHBondContact O-N 2.87Å; I43-N69 HydrophobicContact CG2-CB 3.93Å
44P97.1Very high93.8Very high1 Ų155 Ų551%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-56.2133.4172.9-28.337.7000112.4W4 F33 F34 A46 L67 Y68W4-P44 HydrophobicContact CD2-CB 4.05Å; W4-P44 HydrophobicContact CD2-CG 4.32Å; W4-P44 HydrophobicContact CE3-CB 3.72Å; W4-P44 HydrophobicContact CE3-CG 3.98Å; W4-P44 HydrophobicContact CH2-CB 3.79Å; W4-P44 HydrophobicContact CZ2-CB 4.13Å; W4-P44 HydrophobicContact CZ3-CB 3.56Å; W4-P44 HydrophobicContact CZ3-CG 4.25Å; F33-P44 CarbonylContact O-C 3.53Å; F33-P44 WeakPolarHBondContact O-CA 3.49Å; F34-P44 HydrophobicContact CD1-CG 4.13Å; F34-P44 HydrophobicContact CE1-CB 4.48Å; F34-P44 HydrophobicContact CE1-CG 3.85Å; P44-A46 HydrophobicContact CB-CB 3.72Å; P44-A46 PolarHBondContact O-N 2.95Å; P44-L67 WeakPolarHBondContact CD-O 3.37Å; P44-L67 HydrophobicContact CG-CD1 4.24Å; P44-L67 HydrophobicContact CG-CD2 3.74Å; P44-L67 HydrophobicContact CG-CG 3.61Å; P44-Y68 HydrophobicContact CB-CD1 4.47Å; P44-Y68 HydrophobicContact CG-CD1 4.31Å; P44-Y68 HydrophobicContact CG-CE1 4.4Å
45R96.6Very high93.5Very high62 Ų6258.1 Ų58.123%0.23430%0.299CS..  trans-71.270.4162-64.3-178.2-175.1-77.92.1108.9D31 F33 Y35 I43 G110 S111D31-R45 PolarHBondContact O-NE 3.44Å; D31-R45 VanDerWaalsContact O-NE 3.11Å; F33-R45 PolarHBondContact O-N 2.96Å; Y35-R45 HydrophobicContact CD1-CG 4.02Å; I43-R45 PolarHBondContact O-N 2.87Å; R45-G110 PolarHBondContact NH1-O 3.41Å; R45-S111 PolarHBondContact NH1-OG 3.49Å
46A96Very high93.3Very high10 Ų1055.8 Ų55.88%0.08329%0.29CS..  trans-132.8126.8-169.800000110.8W4 P44 Y68 N72W4-A46 HydrophobicContact CH2-CB 4.08Å; W4-A46 HydrophobicContact CZ2-CB 3.4Å; W4-A46 VanDerWaalsContact CZ2-CB 3.4Å; P44-A46 HydrophobicContact CB-CB 3.72Å; P44-A46 PolarHBondContact O-N 2.95Å; A46-Y68 HydrophobicContact CB-CD1 4.32Å; A46-Y68 HydrophobicContact CB-CE1 4.48Å; A46-N72 WeakPolarHBondContact O-CB 3.46Å; A46-N72 PolarHBondContact O-ND2 2.84Å
47V96.8Very high93.3Very high49 Ų4954.3 Ų54.330%0.29729%0.286SS..  trans-104.8118169.7-177.10000108.3L49 N72 I103 E107V47-L49 HydrophobicContact CG1-CD1 4.24Å; V47-L49 HydrophobicContact CG1-CD2 3.6Å; V47-L49 HydrophobicContact CG1-CG 3.83Å; V47-N72 WeakPolarHBondContact CA-O 3.33Å; V47-I103 HydrophobicContact CB-CG2 4.35Å; V47-I103 HydrophobicContact CG1-CG2 3.73Å; V47-I103 HydrophobicContact CG2-CG2 3.75Å; V47-E107 HydrophobicContact CG2-CG 4.15Å
48L96Very high93.3Very high26 Ų2656.8 Ų56.814%0.13630%0.298CS..EExtended strand (participates in β ladder)trans-102.8110.7-178.7-56.3-173.3000109.4I56 I59 Y68 N72 V73 Y74L48-I56 HydrophobicContact CB-CD1 4.2Å; L48-I56 HydrophobicContact CB-CG1 4.5Å; L48-I59 HydrophobicContact CD1-CD1 4.37Å; L48-Y68 HydrophobicContact CD1-CD1 3.79Å; L48-Y68 HydrophobicContact CD1-CD2 4.5Å; L48-Y68 HydrophobicContact CD1-CE1 4.05Å; L48-Y68 HydrophobicContact CD1-CG 4.03Å; L48-Y68 HydrophobicContact CD2-CE1 4.34Å; L48-Y68 HydrophobicContact CG-CD1 4.31Å; L48-N72 PolarHBondContact N-O 3.31Å; L48-V73 HydrophobicContact CB-CG1 4.36Å; L48-V73 HydrophobicContact CB-CG2 4.27Å; L48-V73 HydrophobicContact CD1-CG2 4.13Å; L48-V73 HydrophobicContact CG-CG2 4.43Å; L48-Y74 PolarHBondContact O-N 3.43Å
49L94.6Very high93.3Very high44 Ų4449 Ų4923%0.2326%0.256CS..EExtended strand (participates in β ladder)trans-117.9120.2-178.1-52.1176.1000109.5V47 Y74 V100 M131 I135V47-L49 HydrophobicContact CG1-CD1 4.24Å; V47-L49 HydrophobicContact CG1-CD2 3.6Å; V47-L49 HydrophobicContact CG1-CG 3.83Å; L49-Y74 VanDerWaalsContact CD2-CB 3.45Å; L49-Y74 HydrophobicContact CD2-CG 4.39Å; L49-V100 HydrophobicContact CD1-CG1 3.71Å; L49-V100 HydrophobicContact CD2-CG1 4.27Å; L49-V100 HydrophobicContact CD2-CG2 4.21Å; L49-M131 HydrophobicContact CB-CE 4.22Å; L49-M131 HydrophobicContact CB-SD 4.48Å; L49-M131 HydrophobicContact CD1-CE 4.17Å; L49-I135 HydrophobicContact CD1-CD1 3.43Å; L49-I135 VanDerWaalsContact CD1-CD1 3.43Å
50D93.6Very high93.3Very high21 Ų2147.3 Ų47.311%0.11225%0.247CC..EExtended strand (participates in β ladder)trans-142.4132168.1-154.7-16.6000111.4E52 V55 I56 Y74 T127D50-E52 WeakPolarHBondContact CB-O 3.3Å; D50-E52 PolarHBondContact OD1-N 3.42Å; D50-V55 WeakPolarHBondContact OD2-CB 3.39Å; D50-I56 HydrophobicContact CB-CD1 3.53Å; D50-I56 HydrophobicContact CB-CG1 3.91Å; D50-Y74 PolarHBondContact N-O 2.86Å; D50-T127 PolarHBondContact OD1-OG1 3.09Å
51L93.7Very high93.4Very high1 Ų149.3 Ų49.31%0.00526%0.258CS..SBendtrans-77.2-12.9172.9-62.4173000111.3Y74 G81 A82 Q92 L96 T127 M131L51-Y74 HydrophobicContact CD2-CE1 4.45Å; L51-G81 WeakPolarHBondContact O-CA 3.48Å; L51-A82 HydrophobicContact CD1-CB 3.9Å; L51-Q92 HydrophobicContact CD1-CB 3.76Å; L51-Q92 HydrophobicContact CD1-CG 4.22Å; L51-Q92 HydrophobicContact CD2-CB 3.87Å; L51-Q92 HydrophobicContact CD2-CG 4.44Å; L51-Q92 HydrophobicContact CG-CB 4.5Å; L51-L96 HydrophobicContact CD2-CD1 3.72Å; L51-T127 HydrophobicContact CB-CG2 4.46Å; L51-T127 HydrophobicContact CD1-CG2 4.4Å; L51-T127 HydrophobicContact CG-CG2 4.12Å; L51-M131 HydrophobicContact CD1-CB 4.16Å; L51-M131 HydrophobicContact CD1-SD 4.2Å; L51-M131 HydrophobicContact CD2-SD 3.94Å; L51-M131 HydrophobicContact CG-SD 3.87Å
52E89.9Confident93.4Very high71 Ų7147.8 Ų47.833%0.33225%0.253SS..SBendtrans-116.7135.7172.9-62.6-176151.200111.1D50 R54D50-E52 WeakPolarHBondContact CB-O 3.3Å; D50-E52 PolarHBondContact OD1-N 3.42Å; E52-R54 VanDerWaalsContact C-N 3.25Å; E52-R54 PolarHBondContact O-N 2.95Å
53P87.9Confident93.3Very high55 Ų5550.7 Ų50.736%0.35728%0.276SS..Hα-helixtrans-73.4-15.7-172.329.1-36.4000114V55 N57 L75P53-V55 PolarHBondContact O-N 2.73Å; P53-N57 WeakPolarHBondContact O-CB 3.21Å; P53-N57 PolarHBondContact O-N 3.11Å; P53-N57 PolarHBondContact O-ND2 3.21Å; P53-L75 HydrophobicContact CB-CD2 4.07Å
54R88.6Confident93.2Very high171 Ų17151.5 Ų51.565%0.64528%0.278SS*.Hα-helixtrans-59.2-48.3-166.2-177.4176.759.991.52.9113.5E52 T58E52-R54 VanDerWaalsContact C-N 3.25Å; E52-R54 PolarHBondContact O-N 2.95Å; R54-T58 PolarHBondContact O-N 3.38Å; R54-T58 PolarHBondContact O-OG1 3.01Å
55V90.1Very high93Very high66 Ų6652.9 Ų52.940%0.429%0.289SS..Hα-helixtrans-73.2-48.1-174.11800000110.4D50 P53 N57 T58 I59D50-V55 WeakPolarHBondContact OD2-CB 3.39Å; P53-V55 PolarHBondContact O-N 2.73Å; V55-N57 PolarHBondContact O-N 2.88Å; V55-T58 WeakPolarHBondContact O-CB 3.43Å; V55-T58 PolarHBondContact O-N 2.82Å; V55-T58 VanDerWaalsContact O-N 3.15Å; V55-I59 PolarHBondContact O-N 3.01Å
56I91.8Very high92.8Very high6 Ų658.3 Ų58.33%0.03131%0.31CS..Hα-helixtrans-63.6-42.1178.2-69.5176.7000110.9L48 D50 T58 I59 L60 V73 Y74 L75L48-I56 HydrophobicContact CB-CD1 4.2Å; L48-I56 HydrophobicContact CB-CG1 4.5Å; D50-I56 HydrophobicContact CB-CD1 3.53Å; D50-I56 HydrophobicContact CB-CG1 3.91Å; I56-T58 PolarHBondContact O-N 2.97Å; I56-I59 WeakPolarHBondContact O-CA 3.45Å; I56-I59 WeakPolarHBondContact O-CB 3.29Å; I56-I59 PolarHBondContact O-N 3.49Å; I56-L60 HydrophobicContact CG2-CD1 3.76Å; I56-L60 HydrophobicContact CG2-CG 4.03Å; I56-L60 WeakPolarHBondContact O-CG 3.37Å; I56-L60 PolarHBondContact O-N 3.41Å; I56-V73 HydrophobicContact CD1-CG1 4.1Å; I56-V73 HydrophobicContact CG2-CG1 3.49Å; I56-V73 VanDerWaalsContact CG2-CG1 3.49Å; I56-Y74 WeakPolarHBondContact CD1-O 3.37Å; I56-L75 HydrophobicContact CB-CD2 3.67Å; I56-L75 HydrophobicContact CB-CG 4.26Å; I56-L75 HydrophobicContact CD1-CD2 3.99Å; I56-L75 HydrophobicContact CD1-CG 4.23Å; I56-L75 HydrophobicContact CG1-CD2 4.38Å; I56-L75 HydrophobicContact CG2-CD1 3.75Å; I56-L75 HydrophobicContact CG2-CD2 3.7Å; I56-L75 HydrophobicContact CG2-CG 3.76Å
57N92.1Very high92.7Very high80 Ų8057.9 Ų57.943%0.42831%0.306SS..Hα-helixtrans-58.6-36174.9-76.1-7.7000112.4P53 V55 I59 L60 S61P53-N57 WeakPolarHBondContact O-CB 3.21Å; P53-N57 PolarHBondContact O-N 3.11Å; P53-N57 PolarHBondContact O-ND2 3.21Å; V55-N57 PolarHBondContact O-N 2.88Å; N57-I59 VanDerWaalsContact C-N 3.29Å; N57-I59 PolarHBondContact O-N 3.49Å; N57-L60 CarbonylContact O-C 3.47Å; N57-L60 PolarHBondContact O-N 3.23Å; N57-S61 WeakPolarHBondContact O-CB 3.5Å; N57-S61 PolarHBondContact O-N 2.88Å; N57-S61 PolarHBondContact O-OG 2.97Å; N57-S61 VanDerWaalsContact O-OG 3.1Å
58T92.8Very high92.6Very high80 Ų8056 Ų5649%0.49129%0.294SS..Hα-helixtrans-64.1-36.1174.8-560000111.7R54 V55 I56 S61 S62R54-T58 PolarHBondContact O-N 3.38Å; R54-T58 PolarHBondContact O-OG1 3.01Å; V55-T58 WeakPolarHBondContact O-CB 3.43Å; V55-T58 PolarHBondContact O-N 2.82Å; V55-T58 VanDerWaalsContact O-N 3.15Å; I56-T58 PolarHBondContact O-N 2.97Å; T58-S61 PolarHBondContact O-OG 2.97Å; T58-S62 PolarHBondContact O-N 2.82Å
59I92.2Very high92.6Very high16 Ų1656.1 Ų56.18%0.08229%0.294CS..Hα-helixtrans-69-47174.8-61.8171.9000110M1 L48 V55 I56 N57 S61 S62 Y68M1-I59 HydrophobicContact CB-CG1 4.27Å; L48-I59 HydrophobicContact CD1-CD1 4.37Å; V55-I59 PolarHBondContact O-N 3.01Å; I56-I59 WeakPolarHBondContact O-CA 3.45Å; I56-I59 WeakPolarHBondContact O-CB 3.29Å; I56-I59 PolarHBondContact O-N 3.49Å; N57-I59 VanDerWaalsContact C-N 3.29Å; N57-I59 PolarHBondContact O-N 3.49Å; I59-S61 PolarHBondContact O-N 2.95Å; I59-S62 VanDerWaalsContact O-CB 3.27Å; I59-S62 WeakPolarHBondContact O-CB 3.5Å; I59-S62 PolarHBondContact O-N 3.37Å; I59-S62 PolarHBondContact O-OG 3.5Å; I59-Y68 HydrophobicContact CG2-CD2 3.88Å; I59-Y68 HydrophobicContact CG2-CE2 3.37Å
60L90.8Very high92.5Very high71 Ų7159 Ų5937%0.37232%0.316SS..Hα-helixtrans-70.7-12.5-179.6-62.3-179.9000113.6I56 N57 A65 L75I56-L60 HydrophobicContact CG2-CD1 3.76Å; I56-L60 HydrophobicContact CG2-CG 4.03Å; I56-L60 WeakPolarHBondContact O-CG 3.37Å; I56-L60 PolarHBondContact O-N 3.41Å; N57-L60 CarbonylContact O-C 3.47Å; N57-L60 PolarHBondContact O-N 3.23Å; L60-A65 WeakPolarHBondContact O-CB 3.36Å; L60-L75 HydrophobicContact CD1-CD1 4.11Å
61S93.2Very high92.5Very high97 Ų9764.1 Ų64.168%0.67834%0.339SS*.THydrogen-bonded Turntrans-100.62.1169.569.10000113.6N57 T58 I59N57-S61 WeakPolarHBondContact O-CB 3.5Å; N57-S61 PolarHBondContact O-N 2.88Å; N57-S61 PolarHBondContact O-OG 2.97Å; N57-S61 VanDerWaalsContact O-OG 3.1Å; T58-S61 PolarHBondContact O-OG 2.97Å; I59-S61 PolarHBondContact O-N 2.95Å
62S94.2Very high92.6Very high21 Ų2164.1 Ų64.115%0.14734%0.339CS..SBendtrans-88.3169.1-178.1810000111.6T58 I59 Y64 A65T58-S62 PolarHBondContact O-N 2.82Å; I59-S62 VanDerWaalsContact O-CB 3.27Å; I59-S62 WeakPolarHBondContact O-CB 3.5Å; I59-S62 PolarHBondContact O-N 3.37Å; I59-S62 PolarHBondContact O-OG 3.5Å; S62-Y64 PolarHBondContact O-N 2.93Å; S62-Y64 PolarHBondContact OG-N 3.32Å; S62-Y64 VanDerWaalsContact OG-N 3.12Å; S62-A65 VanDerWaalsContact O-CB 3.27Å; S62-A65 WeakPolarHBondContact O-CB 3.46Å; S62-A65 PolarHBondContact O-N 3.33Å
63P95.3Very high92.8Very high95 Ų9562 Ų6262%0.61733%0.331SS*.THydrogen-bonded Turntrans-56-20.8169.9-26.335.9000114P15P15-P63 HydrophobicContact CB-CB 4.38Å; P15-P63 VanDerWaalsContact CB-O 3.29Å; P15-P63 WeakPolarHBondContact CB-O 3.44Å
64Y94.7Very high93Very high39 Ų3960.8 Ų60.815%0.15332%0.319CS..THydrogen-bonded Turntrans-94.912.2-179.6-68-95.9000112.9K5 C8 P15 S62 R66 L67 Y68K5-Y64 HydrophobicContact CB-CE1 4.41Å; K5-Y64 HydrophobicContact CB-CE2 4.47Å; K5-Y64 HydrophobicContact CD-CD2 4.26Å; K5-Y64 HydrophobicContact CD-CE2 3.79Å; K5-Y64 HydrophobicContact CG-CD1 4.39Å; K5-Y64 HydrophobicContact CG-CD2 3.97Å; K5-Y64 HydrophobicContact CG-CE1 4.01Å; K5-Y64 HydrophobicContact CG-CE2 3.58Å; K5-Y64 HydrophobicContact CG-CG 4.36Å; C8-Y64 HydrophobicContact CB-CE1 4.26Å; P15-Y64 HydrophobicContact CB-CD1 3.85Å; P15-Y64 HydrophobicContact CB-CD2 4.21Å; P15-Y64 HydrophobicContact CB-CE1 3.87Å; P15-Y64 HydrophobicContact CB-CE2 4.17Å; P15-Y64 HydrophobicContact CB-CG 4.05Å; P15-Y64 HydrophobicContact CG-CE1 4.05Å; P15-Y64 HydrophobicContact CG-CE2 4.14Å; S62-Y64 PolarHBondContact O-N 2.93Å; S62-Y64 PolarHBondContact OG-N 3.32Å; S62-Y64 VanDerWaalsContact OG-N 3.12Å; Y64-R66 PolarHBondContact O-N 3.19Å; Y64-L67 HydrophobicContact CD1-CD2 3.87Å; Y64-L67 VanDerWaalsContact O-CB 3.29Å; Y64-L67 WeakPolarHBondContact O-CB 3.22Å; Y64-L67 PolarHBondContact O-N 2.77Å; Y64-L67 VanDerWaalsContact O-N 3.12Å; Y64-Y68 WeakPolarHBondContact O-CD2 3.48Å; Y64-Y68 WeakPolarHBondContact O-CE2 3.49Å
65A92.1Very high92.7Very high29 Ų2955 Ų5524%0.2430%0.301CS..THydrogen-bonded Turntrans-57.4-35.5-177.700000113.1L60 S62 L67L60-A65 WeakPolarHBondContact O-CB 3.36Å; S62-A65 VanDerWaalsContact O-CB 3.27Å; S62-A65 WeakPolarHBondContact O-CB 3.46Å; S62-A65 PolarHBondContact O-N 3.33Å; A65-L67 VanDerWaalsContact C-N 3.34Å
66R91.7Very high92.2Very high177 Ų17752.7 Ų52.767%0.66829%0.287SS*.THydrogen-bonded Turntrans-85.4-4.6-178.7-66.5-173.7-73.9-1740114.1E16 Y64E16-R66 IonicContact OE1-CZ 2.98Å; E16-R66 IonicContact OE1-NH2 2.62Å; E16-R66 PolarHBondContact OE1-NH2 2.87Å; Y64-R66 PolarHBondContact O-N 3.19Å
67L95.6Very high91.3Very high0 Ų061.3 Ų61.30%032%0.324CS..THydrogen-bonded Turntrans-71.8-36-179.2-175.365.1000112W4 C8 P15 P44 Y64 A65W4-L67 HydrophobicContact CB-CD2 4.42Å; C8-L67 VanDerWaalsContact SG-CD2 3.59Å; P15-L67 WeakPolarHBondContact O-CB 3.36Å; P44-L67 WeakPolarHBondContact CD-O 3.37Å; P44-L67 HydrophobicContact CG-CD1 4.24Å; P44-L67 HydrophobicContact CG-CD2 3.74Å; P44-L67 HydrophobicContact CG-CG 3.61Å; Y64-L67 HydrophobicContact CD1-CD2 3.87Å; Y64-L67 VanDerWaalsContact O-CB 3.29Å; Y64-L67 WeakPolarHBondContact O-CB 3.22Å; Y64-L67 PolarHBondContact O-N 2.77Å; Y64-L67 VanDerWaalsContact O-N 3.12Å; A65-L67 VanDerWaalsContact C-N 3.34Å
68Y94.7Very high90.2Very high11 Ų1165.8 Ų65.84%0.04334%0.342CS..SBendtrans-90.8142.8-170.9-56.6-88.9000111.4W4 P44 A46 L48 I59 Y64 P70W4-Y68 AromaticContact CD1-CE1 3.63Å; W4-Y68 AromaticContact CD1-CZ 3.88Å; W4-Y68 VanDerWaalsContact CD1-OH 3.25Å; W4-Y68 HydrophobicContact CG-CE1 4.09Å; W4-Y68 AromaticContact NE1-CE1 3.96Å; P44-Y68 HydrophobicContact CB-CD1 4.47Å; P44-Y68 HydrophobicContact CG-CD1 4.31Å; P44-Y68 HydrophobicContact CG-CE1 4.4Å; A46-Y68 HydrophobicContact CB-CD1 4.32Å; A46-Y68 HydrophobicContact CB-CE1 4.48Å; L48-Y68 HydrophobicContact CD1-CD1 3.79Å; L48-Y68 HydrophobicContact CD1-CD2 4.5Å; L48-Y68 HydrophobicContact CD1-CE1 4.05Å; L48-Y68 HydrophobicContact CD1-CG 4.03Å; L48-Y68 HydrophobicContact CD2-CE1 4.34Å; L48-Y68 HydrophobicContact CG-CD1 4.31Å; I59-Y68 HydrophobicContact CG2-CD2 3.88Å; I59-Y68 HydrophobicContact CG2-CE2 3.37Å; Y64-Y68 WeakPolarHBondContact O-CD2 3.48Å; Y64-Y68 WeakPolarHBondContact O-CE2 3.49Å; Y68-P70 VanDerWaalsContact O-CD 3.25Å; Y68-P70 WeakPolarHBondContact O-CD 3.26Å
69N94.3Very high88.9Confident27 Ų2764.7 Ų64.714%0.14435%0.348CS..  trans-64.7118166.7-175.9-4.6000109.5Y35 I43 E71 N72Y35-N69 PolarHBondContact OH-ND2 3.29Å; I43-N69 HydrophobicContact CG2-CB 3.93Å; N69-E71 PolarHBondContact O-N 3.45Å; N69-E71 WeakPolarHBondContact OD1-CB 3.33Å; N69-E71 PolarHBondContact OD1-N 3.49Å; N69-N72 HydrophobicContact CB-CB 4.34Å; N69-N72 PolarHBondContact O-N 2.82Å
70P93.1Very high87.8Confident105 Ų10567 Ų6768%0.68238%0.375SS*.G310 helixtrans-58.8-28177.5-24.435.8000113.6Y68 N72 V73Y68-P70 VanDerWaalsContact O-CD 3.25Å; Y68-P70 WeakPolarHBondContact O-CD 3.26Å; P70-N72 PolarHBondContact O-N 3.31Å; P70-V73 PolarHBondContact O-N 2.86Å
71E94.2Very high87.5Confident129 Ų12964.1 Ų64.160%0.60336%0.363SS*.G310 helixtrans-69.5-13.9176.4-59.8-174.8163.600112.9N69 I103 R106N69-E71 PolarHBondContact O-N 3.45Å; N69-E71 WeakPolarHBondContact OD1-CB 3.33Å; N69-E71 PolarHBondContact OD1-N 3.49Å; E71-I103 WeakPolarHBondContact O-CG1 3.5Å; E71-R106 PolarHBondContact O-NH2 3.3Å
72N95.8Very high87.3Confident1 Ų159.7 Ų59.71%0.00533%0.332CS..G310 helixtrans-97.59.7175.7-63.1-6.1000113A46 V47 L48 N69 P70 I103 R106 E107A46-N72 WeakPolarHBondContact O-CB 3.46Å; A46-N72 PolarHBondContact O-ND2 2.84Å; V47-N72 WeakPolarHBondContact CA-O 3.33Å; L48-N72 PolarHBondContact N-O 3.31Å; N69-N72 HydrophobicContact CB-CB 4.34Å; N69-N72 PolarHBondContact O-N 2.82Å; P70-N72 PolarHBondContact O-N 3.31Å; N72-I103 HydrophobicContact CB-CG2 4.18Å; N72-R106 PolarHBondContact OD1-NH1 2.8Å; N72-R106 PolarHBondContact OD1-NH2 3.37Å; N72-E107 PolarHBondContact ND2-OE1 3.34Å; N72-E107 PolarHBondContact OD1-OE1 2.74Å
73V94Very high87Confident26 Ų2661.4 Ų61.416%0.15835%0.353CS..EExtended strand (participates in β ladder)trans-111.1111-177.8-1750000109.4L48 I56 P70 L75L48-V73 HydrophobicContact CB-CG1 4.36Å; L48-V73 HydrophobicContact CB-CG2 4.27Å; L48-V73 HydrophobicContact CD1-CG2 4.13Å; L48-V73 HydrophobicContact CG-CG2 4.43Å; I56-V73 HydrophobicContact CD1-CG1 4.1Å; I56-V73 HydrophobicContact CG2-CG1 3.49Å; I56-V73 VanDerWaalsContact CG2-CG1 3.49Å; P70-V73 PolarHBondContact O-N 2.86Å; V73-L75 HydrophobicContact CG1-CD1 4.32Å; V73-L75 HydrophobicContact CG1-CG 4.23Å
74Y91.1Very high86.9Confident30 Ų3060.3 Ų60.312%0.11834%0.342CS..EExtended strand (participates in β ladder)trans-94120.6169.4-175.9-92.6000110.7L48 L49 D50 L51 I56 L96 E99L48-Y74 PolarHBondContact O-N 3.43Å; L49-Y74 VanDerWaalsContact CD2-CB 3.45Å; L49-Y74 HydrophobicContact CD2-CG 4.39Å; D50-Y74 PolarHBondContact N-O 2.86Å; L51-Y74 HydrophobicContact CD2-CE1 4.45Å; I56-Y74 WeakPolarHBondContact CD1-O 3.37Å; Y74-L96 HydrophobicContact CE1-CD1 3.54Å; Y74-L96 HydrophobicContact CE2-CD2 4.24Å; Y74-L96 VanDerWaalsContact OH-CD1 3.26Å; Y74-L96 WeakPolarHBondContact OH-CD1 3.25Å; Y74-L96 WeakPolarHBondContact OH-CD2 3.48Å; Y74-E99 WeakPolarHBondContact CE2-OE2 3.41Å
75L83.5Confident86.9Confident50 Ų5058.8 Ų58.826%0.26234%0.336SS..EExtended strand (participates in β ladder)trans-123.8120.9173.7-84.3167.3000109.3P53 I56 L60 V73 K77P53-L75 HydrophobicContact CB-CD2 4.07Å; I56-L75 HydrophobicContact CB-CD2 3.67Å; I56-L75 HydrophobicContact CB-CG 4.26Å; I56-L75 HydrophobicContact CD1-CD2 3.99Å; I56-L75 HydrophobicContact CD1-CG 4.23Å; I56-L75 HydrophobicContact CG1-CD2 4.38Å; I56-L75 HydrophobicContact CG2-CD1 3.75Å; I56-L75 HydrophobicContact CG2-CD2 3.7Å; I56-L75 HydrophobicContact CG2-CG 3.76Å; L60-L75 HydrophobicContact CD1-CD1 4.11Å; V73-L75 HydrophobicContact CG1-CD1 4.32Å; V73-L75 HydrophobicContact CG1-CG 4.23Å; L75-K77 PolarHBondContact O-N 2.81Å
76S78.8Confident87.2Confident16 Ų1657.4 Ų57.411%0.11233%0.325CS..  trans-60.1122.5175.6-175.40000111.4H78S76-H78 VanDerWaalsContact C-N 3.29Å; S76-H78 PolarHBondContact O-N 2.82Å
77K73.7Confident87.4Confident187 Ų18749 Ų4981%0.81329%0.293SS*.THydrogen-bonded Turntrans-71.2-23.8177.9-64.5175.9-175.81650113.1L75L75-K77 PolarHBondContact O-N 2.81Å
78H69.6Low87.4Confident174 Ų17449.5 Ų49.581%0.80630%0.298SS*.THydrogen-bonded Turntrans-98.20.8-167.6-64.1-60000114.5S76 G80S76-H78 VanDerWaalsContact C-N 3.29Å; S76-H78 PolarHBondContact O-N 2.82Å; H78-G80 PolarHBondContact O-N 3.31Å
79G65Low87.5Confident58 Ų5849 Ų4960%0.59830%0.295SS*.  trans61.29.2175.300000115.4G81G79-G81 VanDerWaalsContact C-N 3.34Å; G79-G81 PolarHBondContact O-N 3.12Å
80G69.6Low87.7Confident64 Ų6448.5 Ų48.566%0.6629%0.292SS*.  trans-71.6-24.4-174.100000114.1H78H78-G80 PolarHBondContact O-N 3.31Å
81G84Confident87.8Confident11 Ų1143.5 Ų43.511%0.11326%0.259CS..  trans55-173179.600000113.8L51 G79L51-G81 WeakPolarHBondContact O-CA 3.48Å; G79-G81 VanDerWaalsContact C-N 3.34Å; G79-G81 PolarHBondContact O-N 3.12Å
82A87.6Confident87.7Confident4 Ų440.2 Ų40.23%0.03324%0.244CC..  trans-100.4-3168.200000112.6L51 N84 N85 G126L51-A82 HydrophobicContact CD1-CB 3.9Å; A82-N84 PolarHBondContact O-N 2.76Å; A82-N84 VanDerWaalsContact O-N 3.08Å; A82-N85 PolarHBondContact O-N 2.83Å; A82-G126 VanDerWaalsContact CB-C 3.44Å
83G89.1Confident87.7Confident56 Ų5640.2 Ų40.258%0.57725%0.245SC*.THydrogen-bonded Turntrans54.431.9179.400000114.1N85G83-N85 PolarHBondContact O-N 2.89Å
84N92Very high87.7Confident72 Ų7243.6 Ų43.639%0.38526%0.259SS..THydrogen-bonded Turntrans55.521.9-170.2-65.1-45.7000115.6A82 V163 V165 N169A82-N84 PolarHBondContact O-N 2.76Å; A82-N84 VanDerWaalsContact O-N 3.08Å; N84-V163 HydrophobicContact CB-CB 4.48Å; N84-V163 HydrophobicContact CB-CG1 3.71Å; N84-V163 HydrophobicContact CB-CG2 4.01Å; N84-V165 WeakPolarHBondContact O-CG2 3.49Å; N84-N169 PolarHBondContact O-ND2 3.3Å
85N95.6Very high87.9Confident7 Ų747.5 Ų47.54%0.03728%0.276CS..  trans-109.5126.3179.6-171.7-56.5000110.8A82 G83 A87 A88 G89 F390A82-N85 PolarHBondContact O-N 2.83Å; G83-N85 PolarHBondContact O-N 2.89Å; N85-A87 VanDerWaalsContact C-N 3.32Å; N85-A87 PolarHBondContact O-N 3.04Å; N85-A87 WeakPolarHBondContact OD1-CA 3.33Å; N85-A87 VanDerWaalsContact OD1-CB 3.31Å; N85-A87 WeakPolarHBondContact OD1-CB 3.37Å; N85-A87 PolarHBondContact OD1-N 2.62Å; N85-A88 HydrophobicContact CB-CB 4.15Å; N85-A88 PolarHBondContact O-N 2.66Å; N85-A88 PolarHBondContact OD1-N 3.07Å; N85-G89 PolarHBondContact O-N 3.45Å; N85-G89 VanDerWaalsContact O-N 3.08Å; N85-F390 WeakPolarHBondContact OD1-CE1 3.39Å
86W97.9Very high88.3Confident0 Ų045.9 Ų45.90%027%0.268CS..Hα-helixtrans-59.1-40.4178.6178.7107.8000112.8G89 F90 S129 G130 S133 N169 L172 T173 R176 F390 V395 F396W86-G89 PolarHBondContact O-N 2.94Å; W86-F90 HydrophobicContact CD2-CB 4.4Å; W86-F90 HydrophobicContact CE3-CB 4.1Å; W86-F90 HydrophobicContact CH2-CB 3.96Å; W86-F90 HydrophobicContact CH2-CD1 4.32Å; W86-F90 AromaticContact CH2-CD2 3.34Å; W86-F90 HydrophobicContact CH2-CD2 3.34Å; W86-F90 AromaticContact CH2-CE2 3.84Å; W86-F90 HydrophobicContact CH2-CE2 3.84Å; W86-F90 AromaticContact CH2-CG 3.61Å; W86-F90 HydrophobicContact CH2-CG 3.61Å; W86-F90 HydrophobicContact CZ2-CB 4.26Å; W86-F90 AromaticContact CZ2-CD2 3.33Å; W86-F90 HydrophobicContact CZ2-CD2 3.33Å; W86-F90 AromaticContact CZ2-CE2 3.87Å; W86-F90 HydrophobicContact CZ2-CE2 3.87Å; W86-F90 AromaticContact CZ2-CG 4Å; W86-F90 HydrophobicContact CZ2-CG 4Å; W86-F90 HydrophobicContact CZ3-CB 3.88Å; W86-F90 HydrophobicContact CZ3-CD2 4.15Å; W86-F90 AromaticContact CZ3-CG 3.98Å; W86-F90 HydrophobicContact CZ3-CG 3.98Å; W86-F90 WeakPolarHBondContact O-CB 3.44Å; W86-F90 PolarHBondContact O-N 2.89Å; W86-S129 WeakPolarHBondContact CB-OG 3.4Å; W86-S129 VanDerWaalsContact CD1-OG 3.27Å; W86-S129 PolarHBondContact NE1-O 3.31Å; W86-S129 VanDerWaalsContact NE1-O 3.16Å; W86-G130 WeakPolarHBondContact O-CA 3.49Å; W86-S133 PolarHBondContact NE1-OG 2.73Å; W86-N169 HydrophobicContact CB-CB 4.09Å; W86-N169 VanDerWaalsContact CB-OD1 3.25Å; W86-N169 WeakPolarHBondContact CB-OD1 3.48Å; W86-N169 PolarHBondContact N-OD1 3.42Å; W86-L172 HydrophobicContact CB-CD1 4.11Å; W86-L172 HydrophobicContact CD2-CB 3.68Å; W86-L172 HydrophobicContact CD2-CD1 3.53Å; W86-L172 HydrophobicContact CD2-CG 4.21Å; W86-L172 HydrophobicContact CE3-CB 4.24Å; W86-L172 HydrophobicContact CE3-CD1 3.39Å; W86-L172 HydrophobicContact CE3-CG 4.34Å; W86-L172 HydrophobicContact CG-CB 3.86Å; W86-L172 HydrophobicContact CG-CD1 3.83Å; W86-L172 HydrophobicContact CZ2-CB 4.08Å; W86-L172 HydrophobicContact CZ3-CD1 4.03Å; W86-T173 VanDerWaalsContact CD1-OG1 3.29Å; W86-T173 PolarHBondContact NE1-OG1 2.68Å; W86-R176 VanDerWaalsContact CZ2-CZ 3.47Å; W86-F390 HydrophobicContact CB-CE1 4.25Å; W86-V395 HydrophobicContact CZ3-CG1 4.18Å; W86-V395 HydrophobicContact CZ3-CG2 4.41Å; W86-F396 HydrophobicContact CE3-CE2 4.29Å; W86-F396 HydrophobicContact CZ3-CE2 4.11Å
87A97.1Very high89.2Confident0 Ų047.5 Ų47.50%027%0.274CS..Hα-helixtrans-69.8-38.8-175.600000112.2N85 F90 T91 F390 E393 V395 F396N85-A87 VanDerWaalsContact C-N 3.32Å; N85-A87 PolarHBondContact O-N 3.04Å; N85-A87 WeakPolarHBondContact OD1-CA 3.33Å; N85-A87 VanDerWaalsContact OD1-CB 3.31Å; N85-A87 WeakPolarHBondContact OD1-CB 3.37Å; N85-A87 PolarHBondContact OD1-N 2.62Å; A87-F90 PolarHBondContact O-N 2.86Å; A87-T91 WeakPolarHBondContact O-CB 3.14Å; A87-T91 PolarHBondContact O-N 3.05Å; A87-T91 PolarHBondContact O-OG1 3.46Å; A87-F390 HydrophobicContact CB-CD1 3.74Å; A87-F390 HydrophobicContact CB-CE1 4.3Å; A87-E393 HydrophobicContact CB-CB 3.61Å; A87-E393 HydrophobicContact CB-CG 3.66Å; A87-V395 HydrophobicContact CB-CG1 3.8Å; A87-F396 HydrophobicContact CB-CD2 3.68Å; A87-F396 HydrophobicContact CB-CE2 3.65Å
88A95.3Very high90.2Very high12 Ų1245.9 Ų45.910%0.09927%0.269CS..Hα-helixtrans-63.6-46.9172.500000110.2N85 F90 T91 Q92 E393N85-A88 HydrophobicContact CB-CB 4.15Å; N85-A88 PolarHBondContact O-N 2.66Å; N85-A88 PolarHBondContact OD1-N 3.07Å; A88-F90 PolarHBondContact O-N 3.44Å; A88-T91 PolarHBondContact O-N 3.15Å; A88-Q92 WeakPolarHBondContact O-CB 2.83Å; A88-Q92 VanDerWaalsContact O-CG 3.28Å; A88-Q92 WeakPolarHBondContact O-CG 3.38Å; A88-Q92 PolarHBondContact O-N 3.22Å; A88-E393 HydrophobicContact CB-CG 4.32Å
89G96.1Very high91.4Very high0 Ų042.3 Ų42.30%025%0.253CS..Hα-helixtrans-59.7-42.417600000113.2N85 W86 Q92 G93 M131N85-G89 PolarHBondContact O-N 3.45Å; N85-G89 VanDerWaalsContact O-N 3.08Å; W86-G89 PolarHBondContact O-N 2.94Å; G89-Q92 PolarHBondContact O-N 3.34Å; G89-G93 PolarHBondContact O-N 3.05Å; G89-M131 VanDerWaalsContact O-CA 3.23Å; G89-M131 WeakPolarHBondContact O-CA 3.44Å; G89-M131 WeakPolarHBondContact O-CB 3.35Å; G89-M131 PolarHBondContact O-N 2.67Å
90F97.4Very high92.8Very high16 Ų1639.7 Ų39.77%0.0723%0.225CC..Hα-helixtrans-65.6-46.3178.6-168.1-83.4000111.4W86 A87 A88 Q92 G93 E94 F134 V395W86-F90 HydrophobicContact CD2-CB 4.4Å; W86-F90 HydrophobicContact CE3-CB 4.1Å; W86-F90 HydrophobicContact CH2-CB 3.96Å; W86-F90 HydrophobicContact CH2-CD1 4.32Å; W86-F90 AromaticContact CH2-CD2 3.34Å; W86-F90 HydrophobicContact CH2-CD2 3.34Å; W86-F90 AromaticContact CH2-CE2 3.84Å; W86-F90 HydrophobicContact CH2-CE2 3.84Å; W86-F90 AromaticContact CH2-CG 3.61Å; W86-F90 HydrophobicContact CH2-CG 3.61Å; W86-F90 HydrophobicContact CZ2-CB 4.26Å; W86-F90 AromaticContact CZ2-CD2 3.33Å; W86-F90 HydrophobicContact CZ2-CD2 3.33Å; W86-F90 AromaticContact CZ2-CE2 3.87Å; W86-F90 HydrophobicContact CZ2-CE2 3.87Å; W86-F90 AromaticContact CZ2-CG 4Å; W86-F90 HydrophobicContact CZ2-CG 4Å; W86-F90 HydrophobicContact CZ3-CB 3.88Å; W86-F90 HydrophobicContact CZ3-CD2 4.15Å; W86-F90 AromaticContact CZ3-CG 3.98Å; W86-F90 HydrophobicContact CZ3-CG 3.98Å; W86-F90 WeakPolarHBondContact O-CB 3.44Å; W86-F90 PolarHBondContact O-N 2.89Å; A87-F90 PolarHBondContact O-N 2.86Å; A88-F90 PolarHBondContact O-N 3.44Å; F90-Q92 VanDerWaalsContact C-N 3.32Å; F90-Q92 PolarHBondContact O-N 2.96Å; F90-G93 WeakPolarHBondContact O-CA 3.29Å; F90-G93 PolarHBondContact O-N 3.29Å; F90-E94 PolarHBondContact O-N 2.99Å; F90-F134 HydrophobicContact CD1-CD2 4.39Å; F90-F134 HydrophobicContact CD2-CB 3.81Å; F90-F134 AromaticContact CE1-CD2 3.93Å; F90-F134 HydrophobicContact CE1-CD2 3.93Å; F90-F134 HydrophobicContact CE2-CB 3.85Å; F90-F134 HydrophobicContact CE2-CD2 4.28Å; F90-F134 HydrophobicContact CG-CB 4.26Å; F90-F134 HydrophobicContact CZ-CB 4.32Å; F90-F134 AromaticContact CZ-CD2 3.87Å; F90-F134 HydrophobicContact CZ-CD2 3.87Å; F90-V395 HydrophobicContact CD1-CB 4.28Å; F90-V395 HydrophobicContact CD1-CG2 4Å; F90-V395 HydrophobicContact CE1-CG2 4.14Å
91T95.3Very high94.1Very high0 Ų037 Ų370%020%0.195CC..Hα-helixtrans-61.6-39.2176.5-56.60000111.7A87 A88 E94 K95 E394A87-T91 WeakPolarHBondContact O-CB 3.14Å; A87-T91 PolarHBondContact O-N 3.05Å; A87-T91 PolarHBondContact O-OG1 3.46Å; A88-T91 PolarHBondContact O-N 3.15Å; T91-E94 PolarHBondContact O-N 3.25Å; T91-K95 HydrophobicContact CG2-CD 4.32Å; T91-K95 WeakPolarHBondContact O-CG 3.46Å; T91-K95 PolarHBondContact O-N 2.83Å; T91-K95 VanDerWaalsContact O-N 3.1Å; T91-E394 HydrophobicContact CG2-CB 3.86Å; T91-E394 HydrophobicContact CG2-CG 4.15Å; T91-E394 WeakPolarHBondContact CG2-OE2 3.5Å
92Q93.9Very high94.8Very high60 Ų6041.2 Ų41.228%0.2822%0.215SC..Hα-helixtrans-65.8-40.2172.4-69.7-62.6-44.600111.4L51 A88 G89 F90 E94 K95 L96L51-Q92 HydrophobicContact CD1-CB 3.76Å; L51-Q92 HydrophobicContact CD1-CG 4.22Å; L51-Q92 HydrophobicContact CD2-CB 3.87Å; L51-Q92 HydrophobicContact CD2-CG 4.44Å; L51-Q92 HydrophobicContact CG-CB 4.5Å; A88-Q92 WeakPolarHBondContact O-CB 2.83Å; A88-Q92 VanDerWaalsContact O-CG 3.28Å; A88-Q92 WeakPolarHBondContact O-CG 3.38Å; A88-Q92 PolarHBondContact O-N 3.22Å; G89-Q92 PolarHBondContact O-N 3.34Å; F90-Q92 VanDerWaalsContact C-N 3.32Å; F90-Q92 PolarHBondContact O-N 2.96Å; Q92-E94 VanDerWaalsContact C-N 3.3Å; Q92-E94 PolarHBondContact O-N 3.27Å; Q92-K95 PolarHBondContact O-N 3.38Å; Q92-L96 VanDerWaalsContact O-CB 3.32Å; Q92-L96 WeakPolarHBondContact O-CB 3.33Å; Q92-L96 WeakPolarHBondContact O-CD1 3.41Å; Q92-L96 WeakPolarHBondContact O-CG 3.23Å; Q92-L96 PolarHBondContact O-N 2.81Å
93G94.7Very high95.2Very high2 Ų241.9 Ų41.92%0.02122%0.218CC..Hα-helixtrans-55.4-45.3173.500000112.6G89 F90 L96 E97 F134G89-G93 PolarHBondContact O-N 3.05Å; F90-G93 WeakPolarHBondContact O-CA 3.29Å; F90-G93 PolarHBondContact O-N 3.29Å; G93-L96 CarbonylContact O-C 3.46Å; G93-L96 PolarHBondContact O-N 3.23Å; G93-E97 PolarHBondContact O-N 3.35Å; G93-F134 VanDerWaalsContact C-CE1 3.43Å; G93-F134 WeakPolarHBondContact O-CD1 3.47Å; G93-F134 WeakPolarHBondContact O-CE1 3.33Å
94E95Very high95.6Very high96 Ų9639.7 Ų39.745%0.44919%0.193SC..Hα-helixtrans-62-45.1176.3-174.4175.4-165.200112.6F90 T91 Q92 L96 E97 F134F90-E94 PolarHBondContact O-N 2.99Å; T91-E94 PolarHBondContact O-N 3.25Å; Q92-E94 VanDerWaalsContact C-N 3.3Å; Q92-E94 PolarHBondContact O-N 3.27Å; E94-L96 PolarHBondContact O-N 2.96Å; E94-E97 WeakPolarHBondContact O-CB 3.25Å; E94-E97 PolarHBondContact O-N 3.41Å; E94-F134 VanDerWaalsContact CA-CZ 3.46Å; E94-F134 HydrophobicContact CB-CD2 4.19Å; E94-F134 HydrophobicContact CB-CE2 3.74Å; E94-F134 HydrophobicContact CB-CZ 4.14Å; E94-F134 HydrophobicContact CG-CE2 4.15Å
95K93.7Very high95.9Very high113 Ų11338.6 Ų38.649%0.49119%0.187SC..Hα-helixtrans-64.7-24177.8-72.8171.5179.5171.60113.7T91 Q92 E394T91-K95 HydrophobicContact CG2-CD 4.32Å; T91-K95 WeakPolarHBondContact O-CG 3.46Å; T91-K95 PolarHBondContact O-N 2.83Å; T91-K95 VanDerWaalsContact O-N 3.1Å; Q92-K95 PolarHBondContact O-N 3.38Å; K95-E394 WeakPolarHBondContact CE-OE2 3.48Å; K95-E394 VanDerWaalsContact NZ-CD 3.29Å; K95-E394 IonicContact NZ-OE1 2.86Å; K95-E394 PolarHBondContact NZ-OE1 3.24Å; K95-E394 IonicContact NZ-OE2 2.96Å; K95-E394 PolarHBondContact NZ-OE2 3.39Å; K95-E394 VanDerWaalsContact NZ-OE2 3.14Å
96L93.6Very high95.9Very high15 Ų1542 Ų428%0.07920%0.199CC..THydrogen-bonded Turntrans-108.711.4-175-58.6173.2000112L51 Y74 Q92 G93 E94 E98 E99 V100L51-L96 HydrophobicContact CD2-CD1 3.72Å; Y74-L96 HydrophobicContact CE1-CD1 3.54Å; Y74-L96 HydrophobicContact CE2-CD2 4.24Å; Y74-L96 VanDerWaalsContact OH-CD1 3.26Å; Y74-L96 WeakPolarHBondContact OH-CD1 3.25Å; Y74-L96 WeakPolarHBondContact OH-CD2 3.48Å; Q92-L96 VanDerWaalsContact O-CB 3.32Å; Q92-L96 WeakPolarHBondContact O-CB 3.33Å; Q92-L96 WeakPolarHBondContact O-CD1 3.41Å; Q92-L96 WeakPolarHBondContact O-CG 3.23Å; Q92-L96 PolarHBondContact O-N 2.81Å; G93-L96 CarbonylContact O-C 3.46Å; G93-L96 PolarHBondContact O-N 3.23Å; E94-L96 PolarHBondContact O-N 2.96Å; L96-E98 PolarHBondContact O-N 3.37Å; L96-E99 VanDerWaalsContact CD2-OE2 3.29Å; L96-E99 WeakPolarHBondContact CD2-OE2 3.45Å; L96-E99 PolarHBondContact O-N 2.85Å; L96-V100 HydrophobicContact CB-CG2 4.18Å; L96-V100 WeakPolarHBondContact O-CB 3.24Å; L96-V100 VanDerWaalsContact O-CG2 3.31Å; L96-V100 WeakPolarHBondContact O-CG2 3.47Å; L96-V100 PolarHBondContact O-N 3.27Å
97E96Very high95.9Very high50 Ų5043 Ų4323%0.23420%0.204CC..Hα-helixtrans-54.1-51.4-175.3-177.4174.3-176.100111.1G93 E94 V100 F101 F134 R138G93-E97 PolarHBondContact O-N 3.35Å; E94-E97 WeakPolarHBondContact O-CB 3.25Å; E94-E97 PolarHBondContact O-N 3.41Å; E97-V100 PolarHBondContact O-N 3.25Å; E97-F101 HydrophobicContact CG-CD2 4.12Å; E97-F101 VanDerWaalsContact O-CB 3.31Å; E97-F101 WeakPolarHBondContact O-CB 3.48Å; E97-F101 WeakPolarHBondContact O-CD2 3.31Å; E97-F101 PolarHBondContact O-N 3.37Å; E97-F134 HydrophobicContact CB-CE1 3.89Å; E97-F134 HydrophobicContact CB-CZ 3.88Å; E97-F134 HydrophobicContact CG-CE1 4Å; E97-F134 HydrophobicContact CG-CZ 3.91Å; E97-F134 WeakPolarHBondContact OE2-CZ 3.46Å; E97-R138 WeakPolarHBondContact OE1-CD 3.35Å; E97-R138 IonicContact OE1-CZ 2.8Å; E97-R138 IonicContact OE1-NH1 3.59Å; E97-R138 PolarHBondContact OE1-NH1 3.47Å; E97-R138 IonicContact OE2-NH1 3.46Å
98E95.6Very high95.8Very high153 Ų15343.7 Ų43.772%0.71521%0.209SC*.Hα-helixtrans-57.7-54.3179.6-171.9176.2-178.500111.5L96 V100 F101 D102L96-E98 PolarHBondContact O-N 3.37Å; E98-V100 VanDerWaalsContact C-N 3.31Å; E98-V100 PolarHBondContact O-N 3.3Å; E98-F101 PolarHBondContact O-N 2.86Å; E98-D102 WeakPolarHBondContact O-CB 3.19Å; E98-D102 PolarHBondContact O-N 2.79Å
99E94Very high95.9Very high99 Ų9951 Ų5146%0.46324%0.242SC..Hα-helixtrans-61.9-37.3-177.6-60.7178.1161.100112.8Y74 L96 I103Y74-E99 WeakPolarHBondContact CE2-OE2 3.41Å; L96-E99 VanDerWaalsContact CD2-OE2 3.29Å; L96-E99 WeakPolarHBondContact CD2-OE2 3.45Å; L96-E99 PolarHBondContact O-N 2.85Å; E99-I103 WeakPolarHBondContact O-CG1 3.29Å
100V95.5Very high95.7Very high3 Ų353.2 Ų53.22%0.01827%0.265CS..Hα-helixtrans-78.1-42-179.2172.10000111.3L49 L96 E97 E98 I103 I104 M131 I135L49-V100 HydrophobicContact CD1-CG1 3.71Å; L49-V100 HydrophobicContact CD2-CG1 4.27Å; L49-V100 HydrophobicContact CD2-CG2 4.21Å; L96-V100 HydrophobicContact CB-CG2 4.18Å; L96-V100 WeakPolarHBondContact O-CB 3.24Å; L96-V100 VanDerWaalsContact O-CG2 3.31Å; L96-V100 WeakPolarHBondContact O-CG2 3.47Å; L96-V100 PolarHBondContact O-N 3.27Å; E97-V100 PolarHBondContact O-N 3.25Å; E98-V100 VanDerWaalsContact C-N 3.31Å; E98-V100 PolarHBondContact O-N 3.3Å; V100-I103 PolarHBondContact O-N 3Å; V100-I104 HydrophobicContact CG1-CD1 3.82Å; V100-I104 WeakPolarHBondContact O-CG1 3.34Å; V100-I104 PolarHBondContact O-N 3.28Å; V100-I104 VanDerWaalsContact O-N 3.12Å; V100-M131 HydrophobicContact CG2-CE 3.61Å; V100-I135 HydrophobicContact CG1-CD1 4.37Å; V100-I135 HydrophobicContact CG1-CG1 4.46Å
101F97.3Very high95.5Very high7 Ų753.6 Ų53.63%0.03127%0.269CS..Hα-helixtrans-75.1-29.4-179.3-86.5-94000112.6E97 E98 I103 I104 D105 R138 L139 H142E97-F101 HydrophobicContact CG-CD2 4.12Å; E97-F101 VanDerWaalsContact O-CB 3.31Å; E97-F101 WeakPolarHBondContact O-CB 3.48Å; E97-F101 WeakPolarHBondContact O-CD2 3.31Å; E97-F101 PolarHBondContact O-N 3.37Å; E98-F101 PolarHBondContact O-N 2.86Å; F101-I103 PolarHBondContact O-N 2.66Å; F101-I104 HydrophobicContact CE1-CD1 4.38Å; F101-I104 HydrophobicContact CE2-CD1 4.43Å; F101-I104 HydrophobicContact CZ-CD1 4.27Å; F101-I104 PolarHBondContact O-N 3.23Å; F101-I104 VanDerWaalsContact O-N 3.16Å; F101-D105 VanDerWaalsContact O-CB 3.24Å; F101-D105 WeakPolarHBondContact O-CB 3.29Å; F101-D105 VanDerWaalsContact O-CG 3.23Å; F101-D105 PolarHBondContact O-N 3.01Å; F101-R138 HydrophobicContact CE1-CB 4.01Å; F101-R138 HydrophobicContact CE2-CB 3.44Å; F101-R138 VanDerWaalsContact CE2-CB 3.44Å; F101-R138 HydrophobicContact CE2-CG 4.1Å; F101-R138 HydrophobicContact CZ-CB 3.13Å; F101-R138 HydrophobicContact CZ-CG 4.25Å; F101-L139 HydrophobicContact CE1-CD2 4.16Å; F101-L139 HydrophobicContact CZ-CD2 4.37Å; F101-L139 HydrophobicContact CZ-CG 4.37Å; F101-H142 AromaticContact CD1-ND1 3.77Å; F101-H142 HydrophobicContact CE1-CB 4.26Å
102D97Very high95.2Very high100 Ų10061.5 Ų61.554%0.53531%0.311SS..Hα-helixtrans-56.7-39.5169.1-77.1-7.8000111.7E98 R106E98-D102 WeakPolarHBondContact O-CB 3.19Å; E98-D102 PolarHBondContact O-N 2.79Å; D102-R106 VanDerWaalsContact O-CB 3.27Å; D102-R106 WeakPolarHBondContact O-CB 3Å; D102-R106 PolarHBondContact O-N 2.94Å
103I97.3Very high95.1Very high18 Ų1863.4 Ų63.49%0.09233%0.332CS..Hα-helixtrans-69.3-46.9175.9-62.2169.7000110.8V47 E71 N72 E99 V100 F101 E107V47-I103 HydrophobicContact CB-CG2 4.35Å; V47-I103 HydrophobicContact CG1-CG2 3.73Å; V47-I103 HydrophobicContact CG2-CG2 3.75Å; E71-I103 WeakPolarHBondContact O-CG1 3.5Å; N72-I103 HydrophobicContact CB-CG2 4.18Å; E99-I103 WeakPolarHBondContact O-CG1 3.29Å; V100-I103 PolarHBondContact O-N 3Å; F101-I103 PolarHBondContact O-N 2.66Å; I103-E107 WeakPolarHBondContact O-CG 3.47Å; I103-E107 PolarHBondContact O-N 3.42Å; I103-E107 VanDerWaalsContact O-N 3.09Å
104I97.9Very high95.1Very high11 Ų1164.8 Ų64.86%0.05634%0.338CS..Hα-helixtrans-64.9-44.8-177.7-68.7170.2000111V100 F101 E107 A108 F117 L139 F143V100-I104 HydrophobicContact CG1-CD1 3.82Å; V100-I104 WeakPolarHBondContact O-CG1 3.34Å; V100-I104 PolarHBondContact O-N 3.28Å; V100-I104 VanDerWaalsContact O-N 3.12Å; F101-I104 HydrophobicContact CE1-CD1 4.38Å; F101-I104 HydrophobicContact CE2-CD1 4.43Å; F101-I104 HydrophobicContact CZ-CD1 4.27Å; F101-I104 PolarHBondContact O-N 3.23Å; F101-I104 VanDerWaalsContact O-N 3.16Å; I104-E107 PolarHBondContact O-N 2.95Å; I104-A108 VanDerWaalsContact O-CB 3.3Å; I104-A108 WeakPolarHBondContact O-CB 3.35Å; I104-A108 PolarHBondContact O-N 3.29Å; I104-F117 HydrophobicContact CG2-CE1 3.74Å; I104-F117 HydrophobicContact CG2-CZ 4.18Å; I104-L139 HydrophobicContact CD1-CD2 4.35Å; I104-L139 HydrophobicContact CG2-CD2 3.91Å; I104-F143 HydrophobicContact CG2-CE2 3.92Å; I104-F143 HydrophobicContact CG2-CZ 4.34Å
105D97.7Very high95.2Very high48 Ų4863.5 Ų63.526%0.25733%0.332SS..Hα-helixtrans-63.9-44.9-179.7-72-12.9000110F101 E107 A108 E109 F143F101-D105 VanDerWaalsContact O-CB 3.24Å; F101-D105 WeakPolarHBondContact O-CB 3.29Å; F101-D105 VanDerWaalsContact O-CG 3.23Å; F101-D105 PolarHBondContact O-N 3.01Å; D105-E107 PolarHBondContact O-N 3.19Å; D105-A108 WeakPolarHBondContact O-CB 3.44Å; D105-A108 PolarHBondContact O-N 3.5Å; D105-A108 VanDerWaalsContact O-N 3.16Å; D105-E109 WeakPolarHBondContact O-CB 3.29Å; D105-E109 VanDerWaalsContact O-CG 3.29Å; D105-E109 WeakPolarHBondContact O-CG 3.3Å; D105-E109 PolarHBondContact O-N 3.26Å; D105-F143 WeakPolarHBondContact OD1-CZ 3.33Å
106R96.7Very high95.3Very high79 Ų7958.9 Ų58.930%0.29832%0.317SS..Hα-helixtrans-58.6-44174.5179.1174.347.969.8-1112.7E71 N72 D102 G110E71-R106 PolarHBondContact O-NH2 3.3Å; N72-R106 PolarHBondContact OD1-NH1 2.8Å; N72-R106 PolarHBondContact OD1-NH2 3.37Å; D102-R106 VanDerWaalsContact O-CB 3.27Å; D102-R106 WeakPolarHBondContact O-CB 3Å; D102-R106 PolarHBondContact O-N 2.94Å; R106-G110 PolarHBondContact O-N 3.35Å
107E96.4Very high95.5Very high22 Ų2259.7 Ų59.710%0.10332%0.32CS..Hα-helixtrans-68-35.9176.5-72.9-64.5128.600112.5V47 N72 I103 I104 D105 S111V47-E107 HydrophobicContact CG2-CG 4.15Å; N72-E107 PolarHBondContact ND2-OE1 3.34Å; N72-E107 PolarHBondContact OD1-OE1 2.74Å; I103-E107 WeakPolarHBondContact O-CG 3.47Å; I103-E107 PolarHBondContact O-N 3.42Å; I103-E107 VanDerWaalsContact O-N 3.09Å; I104-E107 PolarHBondContact O-N 2.95Å; D105-E107 PolarHBondContact O-N 3.19Å; E107-S111 PolarHBondContact O-N 3.34Å; E107-S111 PolarHBondContact O-OG 3.38Å
108A96.3Very high95.6Very high13 Ų1360 Ų6011%0.10733%0.325CS..Hα-helixtrans-67.9-42.4176.600000111.8I104 D105 S111 L114 F143I104-A108 VanDerWaalsContact O-CB 3.3Å; I104-A108 WeakPolarHBondContact O-CB 3.35Å; I104-A108 PolarHBondContact O-N 3.29Å; D105-A108 WeakPolarHBondContact O-CB 3.44Å; D105-A108 PolarHBondContact O-N 3.5Å; D105-A108 VanDerWaalsContact O-N 3.16Å; A108-S111 WeakPolarHBondContact O-CB 3.35Å; A108-S111 PolarHBondContact O-N 2.86Å; A108-L114 HydrophobicContact CB-CD2 3.74Å; A108-F143 HydrophobicContact CB-CE1 3.85Å; A108-F143 HydrophobicContact CB-CZ 3.91Å
109E95.7Very high95.8Very high166 Ų16654 Ų5478%0.77630%0.297SS*.Hα-helixtrans-67.4-37.1175.1-72.3178.3171.600112D105 S111D105-E109 WeakPolarHBondContact O-CB 3.29Å; D105-E109 VanDerWaalsContact O-CG 3.29Å; D105-E109 WeakPolarHBondContact O-CG 3.3Å; D105-E109 PolarHBondContact O-N 3.26Å; E109-S111 PolarHBondContact O-N 3.09Å; E109-S111 VanDerWaalsContact O-N 3.16Å
110G93.2Very high95.9Very high47 Ų4753 Ų5349%0.48530%0.298SS..THydrogen-bonded Turntrans-73.36.8173.700000114.8R45 R106R45-G110 PolarHBondContact NH1-O 3.41Å; R106-G110 PolarHBondContact O-N 3.35Å
111S93.7Very high96.1Very high23 Ų2353.5 Ų53.516%0.16130%0.3CS..  trans-109.1111.6179-63.40000110.8R45 E107 A108 E109 S113R45-S111 PolarHBondContact NH1-OG 3.49Å; E107-S111 PolarHBondContact O-N 3.34Å; E107-S111 PolarHBondContact O-OG 3.38Å; A108-S111 WeakPolarHBondContact O-CB 3.35Å; A108-S111 PolarHBondContact O-N 2.86Å; E109-S111 PolarHBondContact O-N 3.09Å; E109-S111 VanDerWaalsContact O-N 3.16Å; S111-S113 PolarHBondContact O-N 3.17Å; S111-S113 VanDerWaalsContact O-N 3.11Å
112D88.9Confident96Very high166 Ų16655.1 Ų55.189%0.88831%0.312SS*.THydrogen-bonded Turntrans-52.1-38.8-178-63.8-32.6000113.6
113S91.1Very high96.1Very high101 Ų10150.3 Ų50.371%0.70629%0.287SS*.THydrogen-bonded Turntrans-144.980.7174.5-157.80000110.7S111 E115S111-S113 PolarHBondContact O-N 3.17Å; S111-S113 VanDerWaalsContact O-N 3.11Å; S113-E115 PolarHBondContact O-N 3.03Å
114L95.6Very high96Very high30 Ų3049.9 Ų49.916%0.15729%0.286CS..  trans-63.5115.9174.7-178.966.4000110.6A108 G116 F117 K146A108-L114 HydrophobicContact CB-CD2 3.74Å; L114-G116 WeakPolarHBondContact CD1-O 3.48Å; L114-F117 HydrophobicContact CD2-CE1 4.26Å; L114-F117 HydrophobicContact CD2-CE2 4.14Å; L114-F117 HydrophobicContact CD2-CZ 3.72Å; L114-K146 HydrophobicContact CD2-CD 4.35Å; L114-K146 HydrophobicContact CD2-CG 4.22Å; L114-K146 HydrophobicContact CG-CD 4.31Å; L114-K146 WeakPolarHBondContact O-CD 3.35Å; L114-K146 WeakPolarHBondContact O-CE 3.22Å; L114-K146 PolarHBondContact O-NZ 3.46Å
115E95.5Very high95.7Very high69 Ų6950.1 Ų50.132%0.32229%0.291SS..  trans-88-33.4174.9-65.5-171.2-159.300112.7S113 L147 D234 L235S113-E115 PolarHBondContact O-N 3.03Å; E115-L147 PolarHBondContact O-N 3.2Å; E115-D234 WeakPolarHBondContact OE2-CA 3.41Å; E115-L235 HydrophobicContact CB-CB 4.31Å; E115-L235 VanDerWaalsContact OE2-CB 3.25Å; E115-L235 WeakPolarHBondContact OE2-CB 3.49Å; E115-L235 PolarHBondContact OE2-N 2.87Å
116G97.2Very high95.5Very high17 Ų1748 Ų4818%0.17528%0.28CS..EExtended strand (participates in β ladder)trans175.2179.2-175.600000113.7L114 L147L114-G116 WeakPolarHBondContact CD1-O 3.48Å; G116-L147 CarbonylContact C-O 3.59Å; G116-L147 WeakPolarHBondContact CA-O 3.4Å
117F98.2Very high95.4Very high31 Ų3145.3 Ų45.314%0.13627%0.273CS..EExtended strand (participates in β ladder)trans-107.6136.3177-60-84.3000110.2I104 L114 L139 F143 K146 L147 Q149I104-F117 HydrophobicContact CG2-CE1 3.74Å; I104-F117 HydrophobicContact CG2-CZ 4.18Å; L114-F117 HydrophobicContact CD2-CE1 4.26Å; L114-F117 HydrophobicContact CD2-CE2 4.14Å; L114-F117 HydrophobicContact CD2-CZ 3.72Å; F117-L139 HydrophobicContact CB-CD1 4.2Å; F117-L139 HydrophobicContact CD1-CD2 4.06Å; F117-L139 HydrophobicContact CD2-CD2 4Å; F117-L139 HydrophobicContact CE1-CD2 3.99Å; F117-L139 HydrophobicContact CE2-CD2 3.93Å; F117-L139 HydrophobicContact CG-CD1 4.21Å; F117-L139 HydrophobicContact CG-CD2 4.05Å; F117-L139 HydrophobicContact CZ-CD2 3.92Å; F117-F143 HydrophobicContact CE2-CB 3.69Å; F117-F143 HydrophobicContact CE2-CD1 4.16Å; F117-F143 AromaticContact CE2-CD2 3.65Å; F117-F143 HydrophobicContact CE2-CD2 3.65Å; F117-F143 HydrophobicContact CE2-CE2 4.28Å; F117-F143 AromaticContact CE2-CG 3.57Å; F117-F143 HydrophobicContact CE2-CG 3.57Å; F117-F143 HydrophobicContact CZ-CB 4.36Å; F117-F143 HydrophobicContact CZ-CD1 4.04Å; F117-F143 AromaticContact CZ-CD2 3.57Å; F117-F143 HydrophobicContact CZ-CD2 3.57Å; F117-F143 HydrophobicContact CZ-CE1 4.16Å; F117-F143 AromaticContact CZ-CE2 3.71Å; F117-F143 HydrophobicContact CZ-CE2 3.71Å; F117-F143 AromaticContact CZ-CG 3.73Å; F117-F143 HydrophobicContact CZ-CG 3.73Å; F117-F143 AromaticContact CZ-CZ 3.99Å; F117-F143 HydrophobicContact CZ-CZ 3.99Å; F117-K146 HydrophobicContact CD2-CB 4.35Å; F117-K146 HydrophobicContact CE2-CB 4.06Å; F117-K146 HydrophobicContact CE2-CG 4.45Å; F117-L147 PolarHBondContact N-O 2.85Å; F117-Q149 PolarHBondContact O-N 2.88Å
118V97.7Very high95.4Very high57 Ų5745.1 Ų45.135%0.34528%0.277SS..EExtended strand (participates in β ladder)trans-109.1108.5171.9177.20000109.1Q149 Y151V118-Q149 CarbonylContact C-O 3.4Å; V118-Q149 VanDerWaalsContact CA-O 3.31Å; V118-Q149 WeakPolarHBondContact CA-O 3.35Å; V118-Y151 HydrophobicContact CG1-CD2 3.55Å; V118-Y151 HydrophobicContact CG1-CE2 3.46Å; V118-Y151 VanDerWaalsContact CG1-CE2 3.46Å
119M98.1Very high95.5Very high27 Ų2744.5 Ų44.513%0.13327%0.272CS..EExtended strand (participates in β ladder)trans-103.4122.8-178.4-171.5-167.7179.400111.3H121 G132 L136 Q149 T150 Y151M119-H121 HydrophobicContact CE-CB 3.88Å; M119-G132 WeakPolarHBondContact CE-O 3.27Å; M119-L136 HydrophobicContact CE-CG 4.43Å; M119-L136 HydrophobicContact SD-CD1 4.15Å; M119-L136 HydrophobicContact SD-CD2 3.6Å; M119-L136 VanDerWaalsContact SD-CD2 3.6Å; M119-L136 HydrophobicContact SD-CG 3.6Å; M119-L136 VanDerWaalsContact SD-CG 3.6Å; M119-Q149 PolarHBondContact N-O 3.48Å; M119-T150 HydrophobicContact CB-CG2 4.24Å; M119-T150 CarbonylContact O-C 3.31Å; M119-T150 WeakPolarHBondContact O-CA 3.34Å; M119-Y151 PolarHBondContact O-N 3.49Å
120T97.9Very high95.6Very high79 Ų7936.6 Ų36.649%0.48524%0.235SC..EExtended strand (participates in β ladder)trans-106.5121.2172.5-55.10000109.6Y151 M218T120-Y151 WeakPolarHBondContact CA-O 3.37Å; T120-M218 WeakPolarHBondContact OG1-CE 3.19Å
121H98Very high95.8Very high12 Ų1234.5 Ų34.56%0.05621%0.212CC..EExtended strand (participates in β ladder)trans-155.3160.6-174.777.3136000112.5M119 G128 Y151 S152 V153M119-H121 HydrophobicContact CE-CB 3.88Å; H121-G128 PolarHBondContact ND1-O 2.76Å; H121-Y151 PolarHBondContact N-O 3.21Å; H121-S152 PolarHBondContact CD2-OG 3.4Å; H121-S152 PolarHBondContact NE2-OG 3.3Å; H121-S152 WeakPolarHBondContact O-CA 3.49Å; H121-V153 PolarHBondContact O-N 2.96Å
122S97Very high96Very high41 Ų4133.5 Ų33.529%0.28721%0.206SC..EExtended strand (participates in β ladder)trans-97.3133.1170.3171.40000110.6A124 G125 G128 S129S122-A124 PolarHBondContact O-N 2.94Å; S122-A124 PolarHBondContact OG-N 3.42Å; S122-G125 PolarHBondContact OG-N 2.9Å; S122-G128 CarbonylContact O-C 3.58Å; S122-G128 WeakPolarHBondContact O-CA 3.44Å; S122-S129 PolarHBondContact O-N 2.87Å
123I97.8Very high96.5Very high0 Ų025.6 Ų25.60%016%0.164CC..SBendtrans-79.5-3.1176.773.5167.5000112.9V153 F154 N169 S170 T173 L177I123-V153 PolarHBondContact N-O 3.35Å; I123-F154 HydrophobicContact CD1-CB 4.37Å; I123-F154 HydrophobicContact CD1-CD1 3.49Å; I123-F154 VanDerWaalsContact CD1-CD1 3.49Å; I123-F154 HydrophobicContact CD1-CD2 3.93Å; I123-F154 HydrophobicContact CD1-CE1 3.62Å; I123-F154 HydrophobicContact CD1-CE2 4.04Å; I123-F154 HydrophobicContact CD1-CG 3.66Å; I123-F154 HydrophobicContact CD1-CZ 3.9Å; I123-F154 HydrophobicContact CG1-CG 4.4Å; I123-F154 HydrophobicContact CG2-CE2 4.4Å; I123-N169 CarbonylContact O-C 3.38Å; I123-N169 VanDerWaalsContact O-C 3.31Å; I123-S170 WeakPolarHBondContact O-CA 3.43Å; I123-S170 PolarHBondContact O-N 3Å; I123-S170 VanDerWaalsContact O-N 3.14Å; I123-S170 PolarHBondContact O-OG 3.33Å; I123-S170 VanDerWaalsContact O-OG 3.04Å; I123-T173 HydrophobicContact CB-CG2 3.88Å; I123-T173 HydrophobicContact CG2-CG2 3.76Å; I123-L177 HydrophobicContact CG2-CD1 3.82Å
124A95Very high96.8Very high8 Ų821 Ų217%0.06613%0.131CC..SBendtrans-114.6-24.1-170.400000113.7S122 P155 Q166 N169S122-A124 PolarHBondContact O-N 2.94Å; S122-A124 PolarHBondContact OG-N 3.42Å; A124-P155 HydrophobicContact CB-CB 3.87Å; A124-P155 HydrophobicContact CB-CG 4.05Å; A124-Q166 HydrophobicContact CB-CB 4.43Å; A124-Q166 HydrophobicContact CB-CG 3.46Å; A124-Q166 VanDerWaalsContact CB-CG 3.46Å; A124-N169 PolarHBondContact O-ND2 2.96Å
125G92.2Very high96.9Very high16 Ų1620.2 Ų20.217%0.16513%0.127CC..SBendtrans-76.2-172178.200000112.8S122 S129 N169S122-G125 PolarHBondContact OG-N 2.9Å; G125-S129 WeakPolarHBondContact O-CB 3.29Å; G125-S129 PolarHBondContact O-OG 3.38Å; G125-N169 PolarHBondContact O-ND2 3.12Å
126G93Very high97.1Very high3 Ų317 Ų173%0.03111%0.112CC..SBendtrans-88-55.6175.200000113A82 G130A82-G126 VanDerWaalsContact CB-C 3.44Å; G126-G130 WeakPolarHBondContact O-CA 3.48Å; G126-G130 PolarHBondContact O-N 2.88Å
127T95.4Very high97.2Very high24 Ų2418.5 Ų18.515%0.14711%0.114CC..Iπ-helixtrans-60.4-59.5178.4-51.30000111.4D50 L51 S129 M131 G132D50-T127 PolarHBondContact OD1-OG1 3.09Å; L51-T127 HydrophobicContact CB-CG2 4.46Å; L51-T127 HydrophobicContact CD1-CG2 4.4Å; L51-T127 HydrophobicContact CG-CG2 4.12Å; T127-S129 VanDerWaalsContact C-N 3.28Å; T127-S129 PolarHBondContact O-N 3.4Å; T127-M131 HydrophobicContact CG2-CB 4.49Å; T127-M131 HydrophobicContact CG2-SD 4.17Å; T127-M131 WeakPolarHBondContact O-CB 3.19Å; T127-M131 PolarHBondContact O-N 3.11Å; T127-M131 VanDerWaalsContact O-N 3.11Å; T127-G132 PolarHBondContact O-N 3.44Å
128G96.6Very high97.2Very high18 Ų1820.7 Ų20.719%0.18612%0.122CC..Iπ-helixtrans-62.4-33.8-174.900000113.5H121 S122 G132H121-G128 PolarHBondContact ND1-O 2.76Å; S122-G128 CarbonylContact O-C 3.58Å; S122-G128 WeakPolarHBondContact O-CA 3.44Å; G128-G132 WeakPolarHBondContact O-CA 3.31Å
129S98Very high97.2Very high0 Ų018.3 Ų18.30%011%0.107CC..Iπ-helixtrans-83.6-53.1-178.888.30000110.4W86 S122 G125 T127 S133 T173W86-S129 WeakPolarHBondContact CB-OG 3.4Å; W86-S129 VanDerWaalsContact CD1-OG 3.27Å; W86-S129 PolarHBondContact NE1-O 3.31Å; W86-S129 VanDerWaalsContact NE1-O 3.16Å; S122-S129 PolarHBondContact O-N 2.87Å; G125-S129 WeakPolarHBondContact O-CB 3.29Å; G125-S129 PolarHBondContact O-OG 3.38Å; T127-S129 VanDerWaalsContact C-N 3.28Å; T127-S129 PolarHBondContact O-N 3.4Å; S129-S133 WeakPolarHBondContact O-CB 3.47Å; S129-S133 PolarHBondContact O-N 3.15Å; S129-S133 PolarHBondContact O-OG 2.71Å; S129-T173 VanDerWaalsContact CA-OG1 3.25Å; S129-T173 WeakPolarHBondContact CA-OG1 3.47Å; S129-T173 WeakPolarHBondContact CB-OG1 3.46Å; S129-T173 PolarHBondContact O-OG1 3.3Å; S129-T173 VanDerWaalsContact O-OG1 3.06Å
130G97.9Very high97.1Very high0 Ų019.8 Ų19.80%012%0.115CC..Iπ-helixtrans-77.2-68.5-171.600000112.5W86 G126 G132 S133 F134W86-G130 WeakPolarHBondContact O-CA 3.49Å; G126-G130 WeakPolarHBondContact O-CA 3.48Å; G126-G130 PolarHBondContact O-N 2.88Å; G130-G132 PolarHBondContact O-N 2.85Å; G130-S133 WeakPolarHBondContact O-CB 3.42Å; G130-S133 PolarHBondContact O-N 2.84Å; G130-F134 PolarHBondContact O-N 3.37Å; G130-F134 VanDerWaalsContact O-N 3.1Å
131M96.9Very high97.1Very high2 Ų219.6 Ų19.61%0.0112%0.117CC..Iπ-helixtrans-58.6-38.7177.1-173.8-172.6-174.500110L49 L51 G89 V100 T127 S133 F134 I135L49-M131 HydrophobicContact CB-CE 4.22Å; L49-M131 HydrophobicContact CB-SD 4.48Å; L49-M131 HydrophobicContact CD1-CE 4.17Å; L51-M131 HydrophobicContact CD1-CB 4.16Å; L51-M131 HydrophobicContact CD1-SD 4.2Å; L51-M131 HydrophobicContact CD2-SD 3.94Å; L51-M131 HydrophobicContact CG-SD 3.87Å; G89-M131 VanDerWaalsContact O-CA 3.23Å; G89-M131 WeakPolarHBondContact O-CA 3.44Å; G89-M131 WeakPolarHBondContact O-CB 3.35Å; G89-M131 PolarHBondContact O-N 2.67Å; V100-M131 HydrophobicContact CG2-CE 3.61Å; T127-M131 HydrophobicContact CG2-CB 4.49Å; T127-M131 HydrophobicContact CG2-SD 4.17Å; T127-M131 WeakPolarHBondContact O-CB 3.19Å; T127-M131 PolarHBondContact O-N 3.11Å; T127-M131 VanDerWaalsContact O-N 3.11Å; M131-S133 VanDerWaalsContact C-N 3.34Å; M131-S133 PolarHBondContact O-N 2.95Å; M131-F134 WeakPolarHBondContact O-CB 3.33Å; M131-F134 PolarHBondContact O-N 3.47Å; M131-I135 HydrophobicContact CE-CD1 4.21Å; M131-I135 HydrophobicContact CG-CD1 3.93Å; M131-I135 WeakPolarHBondContact O-CG1 3.39Å; M131-I135 PolarHBondContact O-N 3.41Å
132G98.3Very high97Very high3 Ų323.1 Ų23.13%0.03113%0.133CC..Hα-helixtrans-62.4-36174.500000114.5M119 T127 G128 G130 L136M119-G132 WeakPolarHBondContact CE-O 3.27Å; T127-G132 PolarHBondContact O-N 3.44Å; G128-G132 WeakPolarHBondContact O-CA 3.31Å; G130-G132 PolarHBondContact O-N 2.85Å; G132-L136 WeakPolarHBondContact O-CB 3.34Å; G132-L136 VanDerWaalsContact O-CG 3.28Å; G132-L136 WeakPolarHBondContact O-CG 3.22Å; G132-L136 PolarHBondContact O-N 2.67Å
133S98.7Very high97Very high0 Ų022.9 Ų22.90%013%0.127CC..Hα-helixtrans-67-40.8173.9-67.90000111.7W86 S129 G130 M131 L136 E137 T173W86-S133 PolarHBondContact NE1-OG 2.73Å; S129-S133 WeakPolarHBondContact O-CB 3.47Å; S129-S133 PolarHBondContact O-N 3.15Å; S129-S133 PolarHBondContact O-OG 2.71Å; G130-S133 WeakPolarHBondContact O-CB 3.42Å; G130-S133 PolarHBondContact O-N 2.84Å; M131-S133 VanDerWaalsContact C-N 3.34Å; M131-S133 PolarHBondContact O-N 2.95Å; S133-L136 PolarHBondContact O-N 3.16Å; S133-E137 WeakPolarHBondContact O-CG 3.48Å; S133-E137 PolarHBondContact O-N 3.38Å; S133-E137 VanDerWaalsContact O-N 3.13Å; S133-T173 PolarHBondContact OG-OG1 3.24Å
134F98.4Very high96.9Very high4 Ų427.3 Ų27.32%0.01816%0.156CC..Hα-helixtrans-60-50.4174.9179.3-94.8000111F90 G93 E94 E97 G130 M131 L136 E137 R138F90-F134 HydrophobicContact CD1-CD2 4.39Å; F90-F134 HydrophobicContact CD2-CB 3.81Å; F90-F134 AromaticContact CE1-CD2 3.93Å; F90-F134 HydrophobicContact CE1-CD2 3.93Å; F90-F134 HydrophobicContact CE2-CB 3.85Å; F90-F134 HydrophobicContact CE2-CD2 4.28Å; F90-F134 HydrophobicContact CG-CB 4.26Å; F90-F134 HydrophobicContact CZ-CB 4.32Å; F90-F134 AromaticContact CZ-CD2 3.87Å; F90-F134 HydrophobicContact CZ-CD2 3.87Å; G93-F134 VanDerWaalsContact C-CE1 3.43Å; G93-F134 WeakPolarHBondContact O-CD1 3.47Å; G93-F134 WeakPolarHBondContact O-CE1 3.33Å; E94-F134 VanDerWaalsContact CA-CZ 3.46Å; E94-F134 HydrophobicContact CB-CD2 4.19Å; E94-F134 HydrophobicContact CB-CE2 3.74Å; E94-F134 HydrophobicContact CB-CZ 4.14Å; E94-F134 HydrophobicContact CG-CE2 4.15Å; E97-F134 HydrophobicContact CB-CE1 3.89Å; E97-F134 HydrophobicContact CB-CZ 3.88Å; E97-F134 HydrophobicContact CG-CE1 4Å; E97-F134 HydrophobicContact CG-CZ 3.91Å; E97-F134 WeakPolarHBondContact OE2-CZ 3.46Å; G130-F134 PolarHBondContact O-N 3.37Å; G130-F134 VanDerWaalsContact O-N 3.1Å; M131-F134 WeakPolarHBondContact O-CB 3.33Å; M131-F134 PolarHBondContact O-N 3.47Å; F134-L136 VanDerWaalsContact C-N 3.33Å; F134-L136 PolarHBondContact O-N 2.79Å; F134-E137 PolarHBondContact O-N 3.23Å; F134-R138 HydrophobicContact CD1-CG 4.09Å; F134-R138 HydrophobicContact CE1-CG 3.66Å; F134-R138 HydrophobicContact CE2-CG 4.14Å; F134-R138 HydrophobicContact CG-CG 4.5Å; F134-R138 HydrophobicContact CZ-CG 3.67Å; F134-R138 VanDerWaalsContact O-CG 3.3Å; F134-R138 WeakPolarHBondContact O-CG 3.41Å; F134-R138 PolarHBondContact O-N 2.8Å
135I98.4Very high96.9Very high14 Ų1436.4 Ų36.47%0.07219%0.194CC..Hα-helixtrans-59.8-41.7178.1-67.2163.4000111.5L49 V100 M131 E137 R138 L139L49-I135 HydrophobicContact CD1-CD1 3.43Å; L49-I135 VanDerWaalsContact CD1-CD1 3.43Å; V100-I135 HydrophobicContact CG1-CD1 4.37Å; V100-I135 HydrophobicContact CG1-CG1 4.46Å; M131-I135 HydrophobicContact CE-CD1 4.21Å; M131-I135 HydrophobicContact CG-CD1 3.93Å; M131-I135 WeakPolarHBondContact O-CG1 3.39Å; M131-I135 PolarHBondContact O-N 3.41Å; I135-E137 PolarHBondContact O-N 2.84Å; I135-R138 PolarHBondContact O-N 3.27Å; I135-L139 HydrophobicContact CG2-CD1 3.72Å; I135-L139 HydrophobicContact CG2-CG 3.95Å; I135-L139 WeakPolarHBondContact O-CB 3.48Å; I135-L139 WeakPolarHBondContact O-CG 3.24Å; I135-L139 PolarHBondContact O-N 3.12Å
136L98.5Very high97.2Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-59.5-45.4176.9-78.2171000112.4M119 G132 S133 F134 R138 N140 I148 T150 R176 L177 N180M119-L136 HydrophobicContact CE-CG 4.43Å; M119-L136 HydrophobicContact SD-CD1 4.15Å; M119-L136 HydrophobicContact SD-CD2 3.6Å; M119-L136 VanDerWaalsContact SD-CD2 3.6Å; M119-L136 HydrophobicContact SD-CG 3.6Å; M119-L136 VanDerWaalsContact SD-CG 3.6Å; G132-L136 WeakPolarHBondContact O-CB 3.34Å; G132-L136 VanDerWaalsContact O-CG 3.28Å; G132-L136 WeakPolarHBondContact O-CG 3.22Å; G132-L136 PolarHBondContact O-N 2.67Å; S133-L136 PolarHBondContact O-N 3.16Å; F134-L136 VanDerWaalsContact C-N 3.33Å; F134-L136 PolarHBondContact O-N 2.79Å; L136-R138 VanDerWaalsContact C-N 3.32Å; L136-R138 PolarHBondContact O-N 2.88Å; L136-N140 WeakPolarHBondContact O-CB 3.47Å; L136-N140 PolarHBondContact O-N 3.04Å; L136-I148 HydrophobicContact CD2-CG2 3.55Å; L136-T150 HydrophobicContact CD2-CG2 3.81Å; L136-R176 HydrophobicContact CD1-CB 4.41Å; L136-L177 HydrophobicContact CD1-CD2 3.79Å; L136-L177 HydrophobicContact CD1-CG 4.42Å; L136-N180 HydrophobicContact CB-CB 4.24Å
137E98.4Very high97.4Very high49 Ų4940 Ų4023%0.22921%0.205CC..Hα-helixtrans-61.4-43.5176.6-72.2177-16500111.1S133 F134 I135 N140 S141 R176 N180S133-E137 WeakPolarHBondContact O-CG 3.48Å; S133-E137 PolarHBondContact O-N 3.38Å; S133-E137 VanDerWaalsContact O-N 3.13Å; F134-E137 PolarHBondContact O-N 3.23Å; I135-E137 PolarHBondContact O-N 2.84Å; E137-N140 PolarHBondContact O-N 2.81Å; E137-S141 PolarHBondContact O-N 2.93Å; E137-S141 VanDerWaalsContact O-N 3.16Å; E137-S141 PolarHBondContact O-OG 2.78Å; E137-R176 HydrophobicContact CG-CG 3.88Å; E137-R176 WeakPolarHBondContact OE1-CG 3.23Å; E137-R176 IonicContact OE1-CZ 3.61Å; E137-R176 IonicContact OE1-NE 3.55Å; E137-R176 PolarHBondContact OE1-NE 3.25Å; E137-R176 IonicContact OE1-NH2 3.63Å; E137-R176 PolarHBondContact OE1-NH2 3.39Å; E137-N180 WeakPolarHBondContact CG-ND2 3.41Å
138R98.3Very high97.5Very high78 Ų7839 Ų3929%0.29420%0.199SC..Hα-helixtrans-73.1-39.1-177-64.8-66.2137.9147.91113.8E97 F101 F134 I135 L136 N140 S141 H142E97-R138 WeakPolarHBondContact OE1-CD 3.35Å; E97-R138 IonicContact OE1-CZ 2.8Å; E97-R138 IonicContact OE1-NH1 3.59Å; E97-R138 PolarHBondContact OE1-NH1 3.47Å; E97-R138 IonicContact OE2-NH1 3.46Å; F101-R138 HydrophobicContact CE1-CB 4.01Å; F101-R138 HydrophobicContact CE2-CB 3.44Å; F101-R138 VanDerWaalsContact CE2-CB 3.44Å; F101-R138 HydrophobicContact CE2-CG 4.1Å; F101-R138 HydrophobicContact CZ-CB 3.13Å; F101-R138 HydrophobicContact CZ-CG 4.25Å; F134-R138 HydrophobicContact CD1-CG 4.09Å; F134-R138 HydrophobicContact CE1-CG 3.66Å; F134-R138 HydrophobicContact CE2-CG 4.14Å; F134-R138 HydrophobicContact CG-CG 4.5Å; F134-R138 HydrophobicContact CZ-CG 3.67Å; F134-R138 VanDerWaalsContact O-CG 3.3Å; F134-R138 WeakPolarHBondContact O-CG 3.41Å; F134-R138 PolarHBondContact O-N 2.8Å; I135-R138 PolarHBondContact O-N 3.27Å; L136-R138 VanDerWaalsContact C-N 3.32Å; L136-R138 PolarHBondContact O-N 2.88Å; R138-N140 VanDerWaalsContact C-N 3.29Å; R138-N140 PolarHBondContact O-N 3.3Å; R138-S141 WeakPolarHBondContact CA-OG 3.32Å; R138-S141 PolarHBondContact O-N 2.59Å; R138-S141 PolarHBondContact O-OG 2.89Å; R138-H142 WeakPolarHBondContact O-CB 3.45Å; R138-H142 PolarHBondContact O-CD2 3.18Å; R138-H142 VanDerWaalsContact O-CD2 3.23Å; R138-H142 PolarHBondContact O-N 3.24Å
139L98.4Very high97.6Very high7 Ų738.5 Ų38.54%0.03719%0.192CC..Hα-helixtrans-59.7-42.8172.8-76.2175.7000110.9F101 I104 F117 I135 S141 F143 I148F101-L139 HydrophobicContact CE1-CD2 4.16Å; F101-L139 HydrophobicContact CZ-CD2 4.37Å; F101-L139 HydrophobicContact CZ-CG 4.37Å; I104-L139 HydrophobicContact CD1-CD2 4.35Å; I104-L139 HydrophobicContact CG2-CD2 3.91Å; F117-L139 HydrophobicContact CB-CD1 4.2Å; F117-L139 HydrophobicContact CD1-CD2 4.06Å; F117-L139 HydrophobicContact CD2-CD2 4Å; F117-L139 HydrophobicContact CE1-CD2 3.99Å; F117-L139 HydrophobicContact CE2-CD2 3.93Å; F117-L139 HydrophobicContact CG-CD1 4.21Å; F117-L139 HydrophobicContact CG-CD2 4.05Å; F117-L139 HydrophobicContact CZ-CD2 3.92Å; I135-L139 HydrophobicContact CG2-CD1 3.72Å; I135-L139 HydrophobicContact CG2-CG 3.95Å; I135-L139 WeakPolarHBondContact O-CB 3.48Å; I135-L139 WeakPolarHBondContact O-CG 3.24Å; I135-L139 PolarHBondContact O-N 3.12Å; L139-S141 VanDerWaalsContact C-N 3.32Å; L139-S141 PolarHBondContact O-N 3.14Å; L139-F143 HydrophobicContact CD2-CD2 3.97Å; L139-F143 HydrophobicContact CD2-CE2 4.23Å; L139-F143 WeakPolarHBondContact O-CA 3.39Å; L139-F143 WeakPolarHBondContact O-CB 3.2Å; L139-F143 PolarHBondContact O-N 3.4Å; L139-I148 HydrophobicContact CB-CD1 3.69Å; L139-I148 HydrophobicContact CB-CG1 4.37Å
140N96.5Very high97.6Very high58 Ų5838.5 Ų38.531%0.3119%0.192SC..Hα-helixtrans-63.1-38.5177.7-172.93.9000111.5L136 E137 R138 P144 I148 N180L136-N140 WeakPolarHBondContact O-CB 3.47Å; L136-N140 PolarHBondContact O-N 3.04Å; E137-N140 PolarHBondContact O-N 2.81Å; R138-N140 VanDerWaalsContact C-N 3.29Å; R138-N140 PolarHBondContact O-N 3.3Å; N140-P144 VanDerWaalsContact O-CA 3.27Å; N140-P144 WeakPolarHBondContact O-CA 3.42Å; N140-P144 WeakPolarHBondContact O-CB 3.31Å; N140-I148 HydrophobicContact CB-CD1 3.92Å; N140-N180 HydrophobicContact CB-CB 4.14Å; N140-N180 WeakPolarHBondContact ND2-CA 3.48Å; N140-N180 PolarHBondContact ND2-OD1 2.93Å
141S96.7Very high97.7Very high74 Ų7438.6 Ų38.652%0.51719%0.192SC..Hα-helixtrans-79-37.6178.560.20000114.5E137 R138 L139E137-S141 PolarHBondContact O-N 2.93Å; E137-S141 VanDerWaalsContact O-N 3.16Å; E137-S141 PolarHBondContact O-OG 2.78Å; R138-S141 WeakPolarHBondContact CA-OG 3.32Å; R138-S141 PolarHBondContact O-N 2.59Å; R138-S141 PolarHBondContact O-OG 2.89Å; L139-S141 VanDerWaalsContact C-N 3.32Å; L139-S141 PolarHBondContact O-N 3.14Å
142H97Very high97.7Very high87 Ų8738.5 Ų38.540%0.40319%0.192SC..Hα-helixtrans-78.2-36.6-179.8-77.6-126.8000111.8F101 R138 P144F101-H142 AromaticContact CD1-ND1 3.77Å; F101-H142 HydrophobicContact CE1-CB 4.26Å; R138-H142 WeakPolarHBondContact O-CB 3.45Å; R138-H142 PolarHBondContact O-CD2 3.18Å; R138-H142 VanDerWaalsContact O-CD2 3.23Å; R138-H142 PolarHBondContact O-N 3.24Å; H142-P144 WeakPolarHBondContact O-CD 3.4Å
143F97.6Very high97.7Very high36 Ų3639.8 Ų39.816%0.15820%0.199CC..  trans-123.355.5-176.2-58.8-83.3000112.8I104 D105 A108 F117 L139 K145 K146I104-F143 HydrophobicContact CG2-CE2 3.92Å; I104-F143 HydrophobicContact CG2-CZ 4.34Å; D105-F143 WeakPolarHBondContact OD1-CZ 3.33Å; A108-F143 HydrophobicContact CB-CE1 3.85Å; A108-F143 HydrophobicContact CB-CZ 3.91Å; F117-F143 HydrophobicContact CE2-CB 3.69Å; F117-F143 HydrophobicContact CE2-CD1 4.16Å; F117-F143 AromaticContact CE2-CD2 3.65Å; F117-F143 HydrophobicContact CE2-CD2 3.65Å; F117-F143 HydrophobicContact CE2-CE2 4.28Å; F117-F143 AromaticContact CE2-CG 3.57Å; F117-F143 HydrophobicContact CE2-CG 3.57Å; F117-F143 HydrophobicContact CZ-CB 4.36Å; F117-F143 HydrophobicContact CZ-CD1 4.04Å; F117-F143 AromaticContact CZ-CD2 3.57Å; F117-F143 HydrophobicContact CZ-CD2 3.57Å; F117-F143 HydrophobicContact CZ-CE1 4.16Å; F117-F143 AromaticContact CZ-CE2 3.71Å; F117-F143 HydrophobicContact CZ-CE2 3.71Å; F117-F143 AromaticContact CZ-CG 3.73Å; F117-F143 HydrophobicContact CZ-CG 3.73Å; F117-F143 AromaticContact CZ-CZ 3.99Å; F117-F143 HydrophobicContact CZ-CZ 3.99Å; L139-F143 HydrophobicContact CD2-CD2 3.97Å; L139-F143 HydrophobicContact CD2-CE2 4.23Å; L139-F143 WeakPolarHBondContact O-CA 3.39Å; L139-F143 WeakPolarHBondContact O-CB 3.2Å; L139-F143 PolarHBondContact O-N 3.4Å; F143-K145 PolarHBondContact O-N 2.95Å; F143-K146 HydrophobicContact CB-CB 3.97Å; F143-K146 HydrophobicContact CB-CG 3.85Å; F143-K146 HydrophobicContact CD1-CG 4.31Å; F143-K146 PolarHBondContact O-N 3.37Å
144P95.4Very high97.6Very high93 Ų9339.8 Ų39.860%0.60420%0.199SC*.THydrogen-bonded Turntrans-65.7-6.7-170.928.1-37.5000115N140 H142N140-P144 VanDerWaalsContact O-CA 3.27Å; N140-P144 WeakPolarHBondContact O-CA 3.42Å; N140-P144 WeakPolarHBondContact O-CB 3.31Å; H142-P144 WeakPolarHBondContact O-CD 3.4Å
145K95.6Very high97.5Very high199 Ų19940 Ų4087%0.86520%0.201SC*.THydrogen-bonded Turntrans-105.6-0.3177.1-62.3-178.1-178.6175.30113F143F143-K145 PolarHBondContact O-N 2.95Å
146K97.1Very high97Very high72 Ų7240.5 Ų40.531%0.31320%0.204SC..SBendtrans-106.1143-177.8-57.3-56.5-175.9-179.60109.1L114 F117 F143L114-K146 HydrophobicContact CD2-CD 4.35Å; L114-K146 HydrophobicContact CD2-CG 4.22Å; L114-K146 HydrophobicContact CG-CD 4.31Å; L114-K146 WeakPolarHBondContact O-CD 3.35Å; L114-K146 WeakPolarHBondContact O-CE 3.22Å; L114-K146 PolarHBondContact O-NZ 3.46Å; F117-K146 HydrophobicContact CD2-CB 4.35Å; F117-K146 HydrophobicContact CE2-CB 4.06Å; F117-K146 HydrophobicContact CE2-CG 4.45Å; F143-K146 HydrophobicContact CB-CB 3.97Å; F143-K146 HydrophobicContact CB-CG 3.85Å; F143-K146 HydrophobicContact CD1-CG 4.31Å; F143-K146 PolarHBondContact O-N 3.37Å
147L97.4Very high96.3Very high21 Ų2141.5 Ų41.511%0.1121%0.209CC..EExtended strand (participates in β ladder)trans-72.8141179.8-68.6169.6000110.7E115 G116 F117 D182 L235 I236 I239E115-L147 PolarHBondContact O-N 3.2Å; G116-L147 CarbonylContact C-O 3.59Å; G116-L147 WeakPolarHBondContact CA-O 3.4Å; F117-L147 PolarHBondContact N-O 2.85Å; L147-D182 VanDerWaalsContact CA-OD2 3.3Å; L147-D182 WeakPolarHBondContact CA-OD2 3.46Å; L147-D182 HydrophobicContact CD2-CB 3.88Å; L147-L235 HydrophobicContact CB-CD2 4.1Å; L147-L235 HydrophobicContact CD1-CB 4.18Å; L147-L235 HydrophobicContact CD1-CD2 4.11Å; L147-L235 HydrophobicContact CD1-CG 3.88Å; L147-I236 HydrophobicContact CD1-CB 3.87Å; L147-I236 HydrophobicContact CD1-CD1 3.87Å; L147-I236 HydrophobicContact CD1-CG1 4.49Å; L147-I236 HydrophobicContact CD2-CD1 3.89Å; L147-I236 HydrophobicContact CG-CD1 4.33Å; L147-I239 HydrophobicContact CD1-CD1 4.37Å
148I98.2Very high95.3Very high3 Ų345.4 Ų45.42%0.01523%0.227CC..EExtended strand (participates in β ladder)trans-113.7101.4171.7-60.8171000107.7L136 L139 N140 T150 N180 A181 D182 C183L136-I148 HydrophobicContact CD2-CG2 3.55Å; L139-I148 HydrophobicContact CB-CD1 3.69Å; L139-I148 HydrophobicContact CB-CG1 4.37Å; N140-I148 HydrophobicContact CB-CD1 3.92Å; I148-T150 HydrophobicContact CG2-CG2 4.4Å; I148-N180 WeakPolarHBondContact CD1-O 3.33Å; I148-A181 HydrophobicContact CG2-CB 4.43Å; I148-D182 PolarHBondContact N-OD2 3.31Å; I148-D182 PolarHBondContact O-N 2.83Å; I148-C183 PolarHBondContact O-N 3.18Å
149Q98Very high94.3Very high9 Ų947.9 Ų47.94%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-99.6132.9172-176.1176.556.800109.7F117 V118 M119 Y151 C183 I239F117-Q149 PolarHBondContact O-N 2.88Å; V118-Q149 CarbonylContact C-O 3.4Å; V118-Q149 VanDerWaalsContact CA-O 3.31Å; V118-Q149 WeakPolarHBondContact CA-O 3.35Å; M119-Q149 PolarHBondContact N-O 3.48Å; Q149-Y151 HydrophobicContact CG-CE2 4.39Å; Q149-Y151 PolarHBondContact OE1-OH 3.2Å; Q149-C183 CarbonylContact C-O 3.57Å; Q149-C183 WeakPolarHBondContact CA-O 3.25Å; Q149-C183 HydrophobicContact CB-CB 4.47Å; Q149-C183 HydrophobicContact CG-CB 4.16Å; Q149-I239 HydrophobicContact CB-CD1 4.24Å; Q149-I239 HydrophobicContact CG-CD1 4.47Å
150T98.6Very high93Very high0 Ų054.3 Ų54.30%028%0.281CS..EExtended strand (participates in β ladder)trans-114.2144.9174.775.20000112M119 L136 I148 S152 L177 A181 C183 V184 V185M119-T150 HydrophobicContact CB-CG2 4.24Å; M119-T150 CarbonylContact O-C 3.31Å; M119-T150 WeakPolarHBondContact O-CA 3.34Å; L136-T150 HydrophobicContact CD2-CG2 3.81Å; I148-T150 HydrophobicContact CG2-CG2 4.4Å; T150-S152 WeakPolarHBondContact CB-OG 3.47Å; T150-S152 PolarHBondContact OG1-OG 3.14Å; T150-L177 HydrophobicContact CG2-CD2 3.84Å; T150-A181 HydrophobicContact CG2-CB 4.04Å; T150-C183 PolarHBondContact N-O 3.05Å; T150-V184 WeakPolarHBondContact OG1-CG1 3.48Å; T150-V185 WeakPolarHBondContact O-CB 3.47Å; T150-V185 PolarHBondContact O-N 2.92Å
151Y98.5Very high92.1Very high1 Ų153.6 Ų53.60%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-106.990.9160.8-68.6-90.3000106.7V118 M119 T120 H121 Q149 V185 M218 S221V118-Y151 HydrophobicContact CG1-CD2 3.55Å; V118-Y151 HydrophobicContact CG1-CE2 3.46Å; V118-Y151 VanDerWaalsContact CG1-CE2 3.46Å; M119-Y151 PolarHBondContact O-N 3.49Å; T120-Y151 WeakPolarHBondContact CA-O 3.37Å; H121-Y151 PolarHBondContact N-O 3.21Å; Q149-Y151 HydrophobicContact CG-CE2 4.39Å; Q149-Y151 PolarHBondContact OE1-OH 3.2Å; Y151-V185 WeakPolarHBondContact CA-O 3.5Å; Y151-V185 HydrophobicContact CD1-CB 3.67Å; Y151-V185 HydrophobicContact CD1-CG1 3.71Å; Y151-V185 HydrophobicContact CD1-CG2 4.21Å; Y151-V185 HydrophobicContact CE1-CB 3.82Å; Y151-V185 HydrophobicContact CE1-CG1 3.77Å; Y151-V185 HydrophobicContact CE1-CG2 3.87Å; Y151-V185 HydrophobicContact CG-CB 4.34Å; Y151-M218 HydrophobicContact CD1-CG 3.5Å; Y151-M218 HydrophobicContact CD1-SD 4.4Å; Y151-M218 HydrophobicContact CD2-CE 4.05Å; Y151-M218 HydrophobicContact CD2-CG 4.39Å; Y151-M218 HydrophobicContact CE1-CB 4.29Å; Y151-M218 HydrophobicContact CE1-CG 3.65Å; Y151-M218 HydrophobicContact CG-CE 4.15Å; Y151-M218 HydrophobicContact CG-CG 3.9Å; Y151-M218 HydrophobicContact CG-SD 4.27Å; Y151-S221 WeakPolarHBondContact OH-CB 3.37Å; Y151-S221 PolarHBondContact OH-OG 3.07Å
152S98.6Very high91.3Very high0 Ų058 Ų580%030%0.299CS..EExtended strand (participates in β ladder)trans-95.6118.1-170.1-61.10000110H121 T150 F154 V185 L187H121-S152 PolarHBondContact CD2-OG 3.4Å; H121-S152 PolarHBondContact NE2-OG 3.3Å; H121-S152 WeakPolarHBondContact O-CA 3.49Å; T150-S152 WeakPolarHBondContact CB-OG 3.47Å; T150-S152 PolarHBondContact OG1-OG 3.14Å; S152-F154 WeakPolarHBondContact O-CD2 3.48Å; S152-F154 PolarHBondContact O-N 2.74Å; S152-V185 PolarHBondContact N-O 3.39Å; S152-L187 PolarHBondContact O-N 3.41Å
153V97.6Very high90.9Very high30 Ų3055 Ų5518%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-80.5113176.4-177.90000109.5H121 I123 L187 N189H121-V153 PolarHBondContact O-N 2.96Å; I123-V153 PolarHBondContact N-O 3.35Å; V153-L187 CarbonylContact C-O 3.51Å; V153-L187 WeakPolarHBondContact CA-O 3.38Å; V153-L187 HydrophobicContact CG2-CB 4.23Å; V153-L187 HydrophobicContact CG2-CD1 3.95Å; V153-N189 WeakPolarHBondContact CG1-ND2 3.43Å
154F97.2Very high90.5Very high1 Ų157.1 Ų57.10%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-86.6140.5173-79.3-120.3000109.1I123 S152 L174 V186 L187 N189 F250 L369 F370I123-F154 HydrophobicContact CD1-CB 4.37Å; I123-F154 HydrophobicContact CD1-CD1 3.49Å; I123-F154 VanDerWaalsContact CD1-CD1 3.49Å; I123-F154 HydrophobicContact CD1-CD2 3.93Å; I123-F154 HydrophobicContact CD1-CE1 3.62Å; I123-F154 HydrophobicContact CD1-CE2 4.04Å; I123-F154 HydrophobicContact CD1-CG 3.66Å; I123-F154 HydrophobicContact CD1-CZ 3.9Å; I123-F154 HydrophobicContact CG1-CG 4.4Å; I123-F154 HydrophobicContact CG2-CE2 4.4Å; S152-F154 WeakPolarHBondContact O-CD2 3.48Å; S152-F154 PolarHBondContact O-N 2.74Å; F154-L174 HydrophobicContact CE1-CD2 4Å; F154-L174 HydrophobicContact CZ-CD2 3.82Å; F154-V186 HydrophobicContact CD2-CB 4.41Å; F154-V186 HydrophobicContact CD2-CG1 3.66Å; F154-V186 HydrophobicContact CD2-CG2 4.33Å; F154-V186 HydrophobicContact CE2-CB 4.27Å; F154-V186 HydrophobicContact CE2-CG1 3.9Å; F154-V186 HydrophobicContact CE2-CG2 3.71Å; F154-V186 HydrophobicContact CG-CG1 4Å; F154-V186 HydrophobicContact CZ-CG1 4.42Å; F154-V186 HydrophobicContact CZ-CG2 4.03Å; F154-L187 PolarHBondContact N-O 2.84Å; F154-N189 WeakPolarHBondContact O-CB 3.39Å; F154-N189 PolarHBondContact O-N 3.06Å; F154-N189 VanDerWaalsContact O-N 3.09Å; F154-F250 HydrophobicContact CZ-CE1 4.43Å; F154-L369 HydrophobicContact CD1-CB 4.43Å; F154-L369 HydrophobicContact CD1-CD1 3.98Å; F154-L369 HydrophobicContact CE1-CB 4.41Å; F154-L369 HydrophobicContact CE1-CD1 4.25Å; F154-F370 HydrophobicContact CE1-CD1 4.48Å; F154-F370 HydrophobicContact CE1-CE1 4.2Å; F154-F370 HydrophobicContact CZ-CE1 4.27Å
155P94.6Very high90.5Very high9 Ų952.9 Ų52.96%0.05828%0.275CS..  trans-67.6160.9-176.628.4-33.7000111.6A124 L157 Q166A124-P155 HydrophobicContact CB-CB 3.87Å; A124-P155 HydrophobicContact CB-CG 4.05Å; P155-L157 HydrophobicContact CG-CD2 3.93Å; P155-L157 PolarHBondContact O-N 3Å; P155-Q166 HydrophobicContact CB-CG 4.07Å; P155-Q166 HydrophobicContact CG-CG 3.99Å
156N88.9Confident90.5Very high24 Ų2443.7 Ų43.713%0.12824%0.235CC..  trans-69.3112.1166.1-172.5-12.7000108.4E158 E159 N189 T190N156-E158 PolarHBondContact OD1-N 2.88Å; N156-E159 WeakPolarHBondContact ND2-CG 3.25Å; N156-E159 PolarHBondContact ND2-OE2 3.44Å; N156-E159 VanDerWaalsContact ND2-OE2 3.09Å; N156-E159 PolarHBondContact OD1-N 3.41Å; N156-N189 HydrophobicContact CB-CB 4.3Å; N156-T190 WeakPolarHBondContact CA-OG1 3.44Å
157L83Confident90.5Very high21 Ų2140.8 Ų40.811%0.1122%0.223CC..SBendtrans-89.2-8.3-177.4-64.2176.3000113P155 T190 L369 R372P155-L157 HydrophobicContact CG-CD2 3.93Å; P155-L157 PolarHBondContact O-N 3Å; L157-T190 PolarHBondContact N-OG1 2.95Å; L157-T190 VanDerWaalsContact N-OG1 3.13Å; L157-L369 HydrophobicContact CD1-CD2 4.3Å; L157-R372 HydrophobicContact CD1-CB 3.92Å
158E78.8Confident90.5Very high131 Ų13139.8 Ų39.861%0.61222%0.218SC*.SBendtrans-92.6-20.8-179.3-69.1176.1-166.700112.5N156 T190N156-E158 PolarHBondContact OD1-N 2.88Å; E158-T190 HydrophobicContact CB-CG2 4.08Å; E158-T190 HydrophobicContact CG-CG2 3.55Å; E158-T190 VanDerWaalsContact OE1-CG2 3.27Å; E158-T190 WeakPolarHBondContact OE1-CG2 3.28Å
159E76.3Confident90.5Very high130 Ų13039.6 Ų39.661%0.60722%0.217SC*.SBendtrans-104.4158.7177.7-71.6174.6-175.800112.2N156 S161N156-E159 WeakPolarHBondContact ND2-CG 3.25Å; N156-E159 PolarHBondContact ND2-OE2 3.44Å; N156-E159 VanDerWaalsContact ND2-OE2 3.09Å; N156-E159 PolarHBondContact OD1-N 3.41Å; E159-S161 PolarHBondContact O-N 3.32Å
160T71.8Confident90.5Very high141 Ų14139.2 Ų39.287%0.86522%0.215SC*.  trans-66.9115.4171-560000108.7
161S77.6Confident90.5Very high44 Ų4439.2 Ų39.231%0.30822%0.215SC..  trans-69.5135.7175.8-172.80000111.2E159 V163E159-S161 PolarHBondContact O-N 3.32Å; S161-V163 PolarHBondContact O-N 3.34Å; S161-V163 PolarHBondContact OG-N 3.43Å
162D79.6Confident90.5Very high166 Ų16639.1 Ų39.189%0.88822%0.215SC*.SBendtrans-62.8-20.4169.7-63.8-36.3000112.4
163V87.8Confident90.5Very high23 Ų2339.1 Ų39.114%0.13922%0.215CC..  trans-95.797.6178.6-179.40000109.6N84 S161 V165 Q166N84-V163 HydrophobicContact CB-CB 4.48Å; N84-V163 HydrophobicContact CB-CG1 3.71Å; N84-V163 HydrophobicContact CB-CG2 4.01Å; S161-V163 PolarHBondContact O-N 3.34Å; S161-V163 PolarHBondContact OG-N 3.43Å; V163-V165 HydrophobicContact CG1-CG2 3.9Å; V163-V165 PolarHBondContact O-N 3.24Å; V163-V165 VanDerWaalsContact O-N 3.12Å; V163-Q166 HydrophobicContact CB-CB 4.06Å; V163-Q166 HydrophobicContact CG1-CB 4.04Å; V163-Q166 WeakPolarHBondContact O-CB 3.37Å; V163-Q166 PolarHBondContact O-N 2.98Å
164V90.3Very high90.5Very high81 Ų8137.7 Ų37.749%0.49121%0.206SC..THydrogen-bonded Turntrans-60.7-25-176.5-60.20000114.3F386V164-F386 HydrophobicContact CB-CD2 4.43Å; V164-F386 HydrophobicContact CB-CE1 4.24Å; V164-F386 HydrophobicContact CB-CE2 4.04Å; V164-F386 HydrophobicContact CB-CZ 3.94Å; V164-F386 HydrophobicContact CG1-CZ 4.43Å; V164-F386 HydrophobicContact CG2-CD1 4.01Å; V164-F386 HydrophobicContact CG2-CD2 4.48Å; V164-F386 HydrophobicContact CG2-CE1 3.96Å; V164-F386 HydrophobicContact CG2-CE2 4.43Å; V164-F386 HydrophobicContact CG2-CG 4.28Å; V164-F386 HydrophobicContact CG2-CZ 4.18Å
165V95Very high90.6Very high4 Ų439 Ų392%0.02421%0.212CC..THydrogen-bonded Turntrans-95.26177.6-64.50000113.6N84 V163 P167 Y168 N169 F386 F390N84-V165 WeakPolarHBondContact O-CG2 3.49Å; V163-V165 HydrophobicContact CG1-CG2 3.9Å; V163-V165 PolarHBondContact O-N 3.24Å; V163-V165 VanDerWaalsContact O-N 3.12Å; V165-P167 VanDerWaalsContact C-CD 3.46Å; V165-P167 VanDerWaalsContact C-N 3.32Å; V165-P167 VanDerWaalsContact O-N 3.15Å; V165-Y168 HydrophobicContact CB-CD2 4.27Å; V165-Y168 HydrophobicContact CG1-CD2 4.46Å; V165-Y168 WeakPolarHBondContact O-CB 3.12Å; V165-Y168 PolarHBondContact O-N 3.33Å; V165-N169 PolarHBondContact O-N 3.44Å; V165-F386 HydrophobicContact CG1-CB 3.66Å; V165-F386 HydrophobicContact CG1-CG 4.3Å; V165-F390 HydrophobicContact CB-CE2 3.97Å; V165-F390 HydrophobicContact CB-CZ 4.18Å; V165-F390 HydrophobicContact CG1-CE2 3.89Å
166Q96Very high90.8Very high6 Ų639 Ų393%0.02821%0.211CC..Hα-helixtrans-50.2-43.4-174.4171.5-83.3-55.800113.7A124 P155 V163 Y168 N169 S170A124-Q166 HydrophobicContact CB-CB 4.43Å; A124-Q166 HydrophobicContact CB-CG 3.46Å; A124-Q166 VanDerWaalsContact CB-CG 3.46Å; P155-Q166 HydrophobicContact CB-CG 4.07Å; P155-Q166 HydrophobicContact CG-CG 3.99Å; V163-Q166 HydrophobicContact CB-CB 4.06Å; V163-Q166 HydrophobicContact CG1-CB 4.04Å; V163-Q166 WeakPolarHBondContact O-CB 3.37Å; V163-Q166 PolarHBondContact O-N 2.98Å; Q166-Y168 VanDerWaalsContact C-N 3.27Å; Q166-Y168 PolarHBondContact O-N 3.12Å; Q166-N169 PolarHBondContact O-N 3.23Å; Q166-S170 PolarHBondContact NE2-OG 3.37Å; Q166-S170 WeakPolarHBondContact O-CB 3.38Å; Q166-S170 PolarHBondContact O-N 3.39Å; Q166-S170 PolarHBondContact O-OG 2.9Å
167P96Very high91.2Very high11 Ų1137.8 Ų37.87%0.07121%0.205CC..Hα-helixtrans-62.2-32.9-179.9-26.136.7000113.7V165 L171 Q376 L380V165-P167 VanDerWaalsContact C-CD 3.46Å; V165-P167 VanDerWaalsContact C-N 3.32Å; V165-P167 VanDerWaalsContact O-N 3.15Å; P167-L171 WeakPolarHBondContact O-CB 3.47Å; P167-L171 PolarHBondContact O-N 3.2Å; P167-L171 VanDerWaalsContact O-N 3.09Å; P167-Q376 HydrophobicContact CB-CB 3.9Å; P167-Q376 HydrophobicContact CG-CB 3.84Å; P167-L380 HydrophobicContact CB-CD1 4.04Å; P167-L380 HydrophobicContact CG-CD1 3.71Å
168Y97.7Very high92Very high0 Ų037.1 Ų37.10%020%0.201CC..Hα-helixtrans-67.9-48.2173.7-65.8-55.3000111.2V165 Q166 S170 L171 L172 Y377 L380 R381 A385 I387 F390 F405V165-Y168 HydrophobicContact CB-CD2 4.27Å; V165-Y168 HydrophobicContact CG1-CD2 4.46Å; V165-Y168 WeakPolarHBondContact O-CB 3.12Å; V165-Y168 PolarHBondContact O-N 3.33Å; Q166-Y168 VanDerWaalsContact C-N 3.27Å; Q166-Y168 PolarHBondContact O-N 3.12Å; Y168-S170 VanDerWaalsContact C-N 3.33Å; Y168-S170 PolarHBondContact O-N 3.31Å; Y168-L171 PolarHBondContact O-N 3.1Å; Y168-L172 WeakPolarHBondContact O-CG 3.35Å; Y168-L172 PolarHBondContact O-N 2.97Å; Y168-Y377 AromaticContact CD1-CD2 3.46Å; Y168-Y377 HydrophobicContact CD1-CD2 3.46Å; Y168-Y377 VanDerWaalsContact CD1-CD2 3.46Å; Y168-Y377 AromaticContact CD1-CE2 3.55Å; Y168-Y377 HydrophobicContact CD1-CE2 3.55Å; Y168-Y377 AromaticContact CE1-CD2 3.68Å; Y168-Y377 HydrophobicContact CE1-CD2 3.68Å; Y168-Y377 AromaticContact CE1-CE2 3.63Å; Y168-Y377 HydrophobicContact CE1-CE2 3.63Å; Y168-L380 HydrophobicContact CD2-CD1 4.41Å; Y168-L380 HydrophobicContact CE1-CB 4.36Å; Y168-L380 HydrophobicContact CE2-CB 4.06Å; Y168-L380 HydrophobicContact CE2-CD1 4.04Å; Y168-L380 WeakPolarHBondContact OH-CB 3.25Å; Y168-L380 PolarHBondContact OH-O 2.97Å; Y168-R381 HydrophobicContact CE1-CB 4.35Å; Y168-R381 PolarHBondContact OH-N 2.9Å; Y168-A385 VanDerWaalsContact CE2-O 3.24Å; Y168-A385 WeakPolarHBondContact CE2-O 3.38Å; Y168-A385 PolarHBondContact OH-O 2.67Å; Y168-I387 HydrophobicContact CD1-CD1 4.27Å; Y168-I387 HydrophobicContact CE1-CD1 3.53Å; Y168-I387 HydrophobicContact CE2-CD1 3.95Å; Y168-I387 VanDerWaalsContact OH-CD1 3.25Å; Y168-I387 WeakPolarHBondContact OH-CD1 3.45Å; Y168-I387 WeakPolarHBondContact OH-CG1 3.34Å; Y168-F390 AromaticContact CD2-CE2 3.82Å; Y168-F390 HydrophobicContact CD2-CE2 3.82Å; Y168-F390 HydrophobicContact CD2-CZ 4.28Å; Y168-F390 HydrophobicContact CG-CE2 4.12Å; Y168-F390 HydrophobicContact CG-CZ 4.19Å; Y168-F405 HydrophobicContact CD1-CD1 4.16Å; Y168-F405 AromaticContact CD1-CE1 3.51Å; Y168-F405 HydrophobicContact CD1-CE1 3.51Å; Y168-F405 AromaticContact CD1-CZ 3.75Å; Y168-F405 HydrophobicContact CD1-CZ 3.75Å; Y168-F405 HydrophobicContact CE1-CE1 4.47Å; Y168-F405 AromaticContact CG-CE1 3.93Å; Y168-F405 HydrophobicContact CG-CE1 3.93Å; Y168-F405 AromaticContact CG-CZ 3.97Å; Y168-F405 HydrophobicContact CG-CZ 3.97Å
169N98Very high92.8Very high0 Ų035.2 Ų35.20%020%0.195CC..Hα-helixtrans-57.3-48.2178.6-64.1-7.9000111.1N84 W86 I123 A124 G125 V165 Q166 L171 L172 T173N84-N169 PolarHBondContact O-ND2 3.3Å; W86-N169 HydrophobicContact CB-CB 4.09Å; W86-N169 VanDerWaalsContact CB-OD1 3.25Å; W86-N169 WeakPolarHBondContact CB-OD1 3.48Å; W86-N169 PolarHBondContact N-OD1 3.42Å; I123-N169 CarbonylContact O-C 3.38Å; I123-N169 VanDerWaalsContact O-C 3.31Å; A124-N169 PolarHBondContact O-ND2 2.96Å; G125-N169 PolarHBondContact O-ND2 3.12Å; V165-N169 PolarHBondContact O-N 3.44Å; Q166-N169 PolarHBondContact O-N 3.23Å; N169-L171 PolarHBondContact O-N 3.48Å; N169-L172 PolarHBondContact O-N 3.12Å; N169-T173 WeakPolarHBondContact O-CB 3.31Å; N169-T173 PolarHBondContact O-N 3.45Å; N169-T173 PolarHBondContact O-OG1 3.33Å; N169-T173 VanDerWaalsContact O-OG1 3.14Å
170S98Very high93.9Very high0 Ų030.3 Ų30.30%017%0.173CC..Hα-helixtrans-66.2-38.8-178.7-60.80000112.5I123 Q166 Y168 L174I123-S170 WeakPolarHBondContact O-CA 3.43Å; I123-S170 PolarHBondContact O-N 3Å; I123-S170 VanDerWaalsContact O-N 3.14Å; I123-S170 PolarHBondContact O-OG 3.33Å; I123-S170 VanDerWaalsContact O-OG 3.04Å; Q166-S170 PolarHBondContact NE2-OG 3.37Å; Q166-S170 WeakPolarHBondContact O-CB 3.38Å; Q166-S170 PolarHBondContact O-N 3.39Å; Q166-S170 PolarHBondContact O-OG 2.9Å; Y168-S170 VanDerWaalsContact C-N 3.33Å; Y168-S170 PolarHBondContact O-N 3.31Å; S170-L174 VanDerWaalsContact O-CB 3.31Å; S170-L174 WeakPolarHBondContact O-CB 3.41Å; S170-L174 WeakPolarHBondContact O-CG 3.36Å; S170-L174 PolarHBondContact O-N 3.47Å
171L98.4Very high95.1Very high0 Ų024 Ų240%014%0.135CC..Hα-helixtrans-61.7-50.4175-178.574.7000111.5P167 Y168 N169 T173 L174 K175 L374 Y377 F405 R409 V412P167-L171 WeakPolarHBondContact O-CB 3.47Å; P167-L171 PolarHBondContact O-N 3.2Å; P167-L171 VanDerWaalsContact O-N 3.09Å; Y168-L171 PolarHBondContact O-N 3.1Å; N169-L171 PolarHBondContact O-N 3.48Å; L171-T173 VanDerWaalsContact C-N 3.32Å; L171-T173 PolarHBondContact O-N 2.83Å; L171-L174 PolarHBondContact O-N 3.19Å; L171-K175 PolarHBondContact O-N 2.89Å; L171-L374 HydrophobicContact CD1-CD1 4.21Å; L171-Y377 HydrophobicContact CB-CD2 4.25Å; L171-Y377 HydrophobicContact CB-CG 4.46Å; L171-Y377 HydrophobicContact CD2-CD1 3.85Å; L171-Y377 HydrophobicContact CD2-CD2 3.41Å; L171-Y377 VanDerWaalsContact CD2-CD2 3.41Å; L171-Y377 HydrophobicContact CD2-CE1 3.85Å; L171-Y377 HydrophobicContact CD2-CE2 3.35Å; L171-Y377 HydrophobicContact CD2-CG 3.65Å; L171-Y377 HydrophobicContact CG-CD2 4.39Å; L171-Y377 HydrophobicContact CG-CG 4.48Å; L171-F405 HydrophobicContact CD2-CD1 4.39Å; L171-R409 HydrophobicContact CD2-CB 4.15Å; L171-V412 HydrophobicContact CD1-CB 4.02Å; L171-V412 HydrophobicContact CD1-CG1 4.44Å; L171-V412 HydrophobicContact CD1-CG2 3.79Å
172L98.6Very high96Very high0 Ų025.1 Ų25.10%014%0.137CC..Hα-helixtrans-63.3-39.6-177.4-67.2171000111.3W86 Y168 N169 R176 F390 F396 E404 F405 S408W86-L172 HydrophobicContact CB-CD1 4.11Å; W86-L172 HydrophobicContact CD2-CB 3.68Å; W86-L172 HydrophobicContact CD2-CD1 3.53Å; W86-L172 HydrophobicContact CD2-CG 4.21Å; W86-L172 HydrophobicContact CE3-CB 4.24Å; W86-L172 HydrophobicContact CE3-CD1 3.39Å; W86-L172 HydrophobicContact CE3-CG 4.34Å; W86-L172 HydrophobicContact CG-CB 3.86Å; W86-L172 HydrophobicContact CG-CD1 3.83Å; W86-L172 HydrophobicContact CZ2-CB 4.08Å; W86-L172 HydrophobicContact CZ3-CD1 4.03Å; Y168-L172 WeakPolarHBondContact O-CG 3.35Å; Y168-L172 PolarHBondContact O-N 2.97Å; N169-L172 PolarHBondContact O-N 3.12Å; L172-R176 WeakPolarHBondContact O-CD 3.18Å; L172-R176 PolarHBondContact O-NH1 2.84Å; L172-F390 HydrophobicContact CD1-CD1 4.36Å; L172-F390 HydrophobicContact CD1-CE1 3.94Å; L172-F396 HydrophobicContact CD1-CE2 4.44Å; L172-F396 HydrophobicContact CD1-CZ 4.09Å; L172-F396 HydrophobicContact CD2-CZ 4.32Å; L172-E404 HydrophobicContact CD2-CG 3.9Å; L172-F405 HydrophobicContact CD1-CD1 4.18Å; L172-F405 HydrophobicContact CD1-CE1 3.47Å; L172-F405 VanDerWaalsContact CD1-CE1 3.47Å; L172-F405 HydrophobicContact CD1-CZ 3.91Å; L172-F405 HydrophobicContact CD2-CD1 3.72Å; L172-F405 HydrophobicContact CD2-CE1 3.9Å; L172-F405 HydrophobicContact CD2-CG 4.46Å; L172-F405 HydrophobicContact CG-CD1 3.95Å; L172-F405 HydrophobicContact CG-CE1 3.67Å; L172-S408 WeakPolarHBondContact CD2-OG 3.12Å
173T98.8Very high96.9Very high0 Ų017.2 Ų17.20%010%0.095CC..Hα-helixtrans-69.8-38174.8-62.10000112.9W86 I123 S129 S133 N169 L171 K175 R176 L177W86-T173 VanDerWaalsContact CD1-OG1 3.29Å; W86-T173 PolarHBondContact NE1-OG1 2.68Å; I123-T173 HydrophobicContact CB-CG2 3.88Å; I123-T173 HydrophobicContact CG2-CG2 3.76Å; S129-T173 VanDerWaalsContact CA-OG1 3.25Å; S129-T173 WeakPolarHBondContact CA-OG1 3.47Å; S129-T173 WeakPolarHBondContact CB-OG1 3.46Å; S129-T173 PolarHBondContact O-OG1 3.3Å; S129-T173 VanDerWaalsContact O-OG1 3.06Å; S133-T173 PolarHBondContact OG-OG1 3.24Å; N169-T173 WeakPolarHBondContact O-CB 3.31Å; N169-T173 PolarHBondContact O-N 3.45Å; N169-T173 PolarHBondContact O-OG1 3.33Å; N169-T173 VanDerWaalsContact O-OG1 3.14Å; L171-T173 VanDerWaalsContact C-N 3.32Å; L171-T173 PolarHBondContact O-N 2.83Å; T173-K175 VanDerWaalsContact C-N 3.26Å; T173-K175 PolarHBondContact O-N 3.29Å; T173-R176 PolarHBondContact O-N 2.75Å; T173-L177 HydrophobicContact CG2-CD1 4.03Å; T173-L177 HydrophobicContact CG2-CG 4.16Å; T173-L177 PolarHBondContact O-N 2.81Å
174L98.7Very high97.4Very high0 Ų016.1 Ų16.10%09%0.088CC..Hα-helixtrans-60-35.4177.6-80.6171.1000112.3F154 S170 L171 R176 T178 F250 F370 T373 V412F154-L174 HydrophobicContact CE1-CD2 4Å; F154-L174 HydrophobicContact CZ-CD2 3.82Å; S170-L174 VanDerWaalsContact O-CB 3.31Å; S170-L174 WeakPolarHBondContact O-CB 3.41Å; S170-L174 WeakPolarHBondContact O-CG 3.36Å; S170-L174 PolarHBondContact O-N 3.47Å; L171-L174 PolarHBondContact O-N 3.19Å; L174-R176 VanDerWaalsContact C-N 3.33Å; L174-R176 PolarHBondContact O-N 3.33Å; L174-T178 WeakPolarHBondContact O-CB 3.37Å; L174-T178 PolarHBondContact O-N 3.35Å; L174-T178 PolarHBondContact O-OG1 2.71Å; L174-F250 HydrophobicContact CD2-CE1 4.11Å; L174-F250 HydrophobicContact CD2-CZ 4.37Å; L174-F370 HydrophobicContact CD1-CD1 4.22Å; L174-F370 HydrophobicContact CD2-CD1 3.88Å; L174-F370 HydrophobicContact CD2-CE1 3.9Å; L174-T373 HydrophobicContact CD1-CG2 3.84Å; L174-V412 HydrophobicContact CB-CG2 3.61Å; L174-V412 HydrophobicContact CD1-CG1 4.36Å; L174-V412 HydrophobicContact CD1-CG2 4.3Å
175K98.6Very high97.8Very high28 Ų2812.2 Ų12.212%0.1227%0.065CC..Hα-helixtrans-55.8-47.8170.8172178.8167-175.20111L171 T173 T178 L179 E404 S408 V411L171-K175 PolarHBondContact O-N 2.89Å; T173-K175 VanDerWaalsContact C-N 3.26Å; T173-K175 PolarHBondContact O-N 3.29Å; K175-T178 PolarHBondContact O-N 2.98Å; K175-L179 HydrophobicContact CG-CD1 3.85Å; K175-L179 WeakPolarHBondContact O-CB 3.49Å; K175-L179 VanDerWaalsContact O-CG 3.28Å; K175-L179 WeakPolarHBondContact O-CG 3.3Å; K175-L179 PolarHBondContact O-N 2.87Å; K175-L179 VanDerWaalsContact O-N 3.1Å; K175-E404 VanDerWaalsContact NZ-CD 3.26Å; K175-E404 IonicContact NZ-OE1 3.83Å; K175-E404 PolarHBondContact NZ-OE1 2.99Å; K175-E404 IonicContact NZ-OE2 3.69Å; K175-E404 PolarHBondContact NZ-OE2 2.71Å; K175-S408 WeakPolarHBondContact CD-OG 3.36Å; K175-V411 HydrophobicContact CB-CB 4.5Å; K175-V411 HydrophobicContact CB-CG1 4.41Å; K175-V411 HydrophobicContact CG-CB 4.33Å; K175-V411 HydrophobicContact CG-CG1 4.32Å; K175-V411 HydrophobicContact CG-CG2 4.23Å
176R98.5Very high97.9Very high8 Ų812 Ų123%0.036%0.064CC..Hα-helixtrans-71.8-40.1-176.3-77.680-177165.88.1112.2W86 L136 E137 L172 T173 L174 T178 L179 N180 E404W86-R176 VanDerWaalsContact CZ2-CZ 3.47Å; L136-R176 HydrophobicContact CD1-CB 4.41Å; E137-R176 HydrophobicContact CG-CG 3.88Å; E137-R176 WeakPolarHBondContact OE1-CG 3.23Å; E137-R176 IonicContact OE1-CZ 3.61Å; E137-R176 IonicContact OE1-NE 3.55Å; E137-R176 PolarHBondContact OE1-NE 3.25Å; E137-R176 IonicContact OE1-NH2 3.63Å; E137-R176 PolarHBondContact OE1-NH2 3.39Å; L172-R176 WeakPolarHBondContact O-CD 3.18Å; L172-R176 PolarHBondContact O-NH1 2.84Å; T173-R176 PolarHBondContact O-N 2.75Å; L174-R176 VanDerWaalsContact C-N 3.33Å; L174-R176 PolarHBondContact O-N 3.33Å; R176-T178 VanDerWaalsContact C-N 3.27Å; R176-T178 PolarHBondContact O-N 3.27Å; R176-L179 PolarHBondContact O-N 3.06Å; R176-N180 WeakPolarHBondContact O-CA 3.44Å; R176-N180 VanDerWaalsContact O-CB 3.27Å; R176-N180 WeakPolarHBondContact O-CB 3.33Å; R176-N180 PolarHBondContact O-N 3.33Å; R176-N180 PolarHBondContact O-ND2 3.26Å; R176-E404 IonicContact CZ-OE1 3.72Å; R176-E404 IonicContact NH1-OE1 3.98Å; R176-E404 PolarHBondContact NH1-OE1 3.25Å; R176-E404 IonicContact NH2-OE1 3.14Å; R176-E404 PolarHBondContact NH2-OE1 3.28Å; R176-E404 IonicContact NH2-OE2 3.1Å
177L98.7Very high98Very high0 Ų011.9 Ų11.90%06%0.063CC..Hα-helixtrans-57.5-44.8171.9-71.1174.3000110.9I123 L136 T150 T173 L179 A181 V184 H249 F250I123-L177 HydrophobicContact CG2-CD1 3.82Å; L136-L177 HydrophobicContact CD1-CD2 3.79Å; L136-L177 HydrophobicContact CD1-CG 4.42Å; T150-L177 HydrophobicContact CG2-CD2 3.84Å; T173-L177 HydrophobicContact CG2-CD1 4.03Å; T173-L177 HydrophobicContact CG2-CG 4.16Å; T173-L177 PolarHBondContact O-N 2.81Å; L177-L179 VanDerWaalsContact C-N 3.3Å; L177-L179 PolarHBondContact O-N 2.68Å; L177-A181 HydrophobicContact CD2-CB 4.49Å; L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 3.23Å; L177-V184 HydrophobicContact CB-CG2 4.09Å; L177-V184 HydrophobicContact CD1-CG1 4.34Å; L177-V184 HydrophobicContact CD2-CG1 4.42Å; L177-V184 HydrophobicContact CD2-CG2 3.98Å; L177-H249 PolarHBondContact O-CE1 3.32Å; L177-H249 PolarHBondContact O-NE2 2.96Å; L177-H249 VanDerWaalsContact O-NE2 3.13Å; L177-F250 HydrophobicContact CB-CE1 4.14Å; L177-F250 HydrophobicContact CB-CZ 3.93Å; L177-F250 HydrophobicContact CD1-CE1 4.41Å
178T98.2Very high98Very high6 Ų611.3 Ų11.34%0.0376%0.06CC..Hα-helixtrans-65.3-29.8179.9-54.70000113.7L174 K175 R176 R247 H249 V411 L415L174-T178 WeakPolarHBondContact O-CB 3.37Å; L174-T178 PolarHBondContact O-N 3.35Å; L174-T178 PolarHBondContact O-OG1 2.71Å; K175-T178 PolarHBondContact O-N 2.98Å; R176-T178 VanDerWaalsContact C-N 3.27Å; R176-T178 PolarHBondContact O-N 3.27Å; T178-R247 HydrophobicContact CG2-CG 4.36Å; T178-H249 PolarHBondContact O-CE1 3.4Å; T178-V411 HydrophobicContact CG2-CG1 3.87Å; T178-L415 HydrophobicContact CG2-CD1 4.12Å; T178-L415 HydrophobicContact CG2-CD2 4.46Å
179L97.2Very high97.8Very high92 Ų9213 Ų1348%0.4827%0.068SC..Hα-helixtrans-105.8-21.7-171.5-63178.8000114K175 R176 L177 V411K175-L179 HydrophobicContact CG-CD1 3.85Å; K175-L179 WeakPolarHBondContact O-CB 3.49Å; K175-L179 VanDerWaalsContact O-CG 3.28Å; K175-L179 WeakPolarHBondContact O-CG 3.3Å; K175-L179 PolarHBondContact O-N 2.87Å; K175-L179 VanDerWaalsContact O-N 3.1Å; R176-L179 PolarHBondContact O-N 3.06Å; L177-L179 VanDerWaalsContact C-N 3.3Å; L177-L179 PolarHBondContact O-N 2.68Å; L179-V411 HydrophobicContact CD1-CG2 4.4Å; L179-V411 HydrophobicContact CD2-CG1 4.48Å; L179-V411 HydrophobicContact CG-CG1 4.35Å
180N97.9Very high97.6Very high26 Ų2613.2 Ų13.214%0.1397%0.07CC..Hα-helixtrans-127.5-7.1-168.9-55.3-67.2000114.9L136 E137 N140 I148 R176L136-N180 HydrophobicContact CB-CB 4.24Å; E137-N180 WeakPolarHBondContact CG-ND2 3.41Å; N140-N180 HydrophobicContact CB-CB 4.14Å; N140-N180 WeakPolarHBondContact ND2-CA 3.48Å; N140-N180 PolarHBondContact ND2-OD1 2.93Å; I148-N180 WeakPolarHBondContact CD1-O 3.33Å; R176-N180 WeakPolarHBondContact O-CA 3.44Å; R176-N180 VanDerWaalsContact O-CB 3.27Å; R176-N180 WeakPolarHBondContact O-CB 3.33Å; R176-N180 PolarHBondContact O-N 3.33Å; R176-N180 PolarHBondContact O-ND2 3.26Å
181A97.8Very high97.4Very high8 Ų813.2 Ų13.27%0.0667%0.07CC..  trans-103.3140.8173.300000110.7I148 T150 L177 V184 H249I148-A181 HydrophobicContact CG2-CB 4.43Å; T150-A181 HydrophobicContact CG2-CB 4.04Å; L177-A181 HydrophobicContact CD2-CB 4.49Å; L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 3.23Å; A181-V184 HydrophobicContact CB-CG2 3.68Å; A181-H249 PolarHBondContact O-CE1 2.83Å; A181-H249 PolarHBondContact O-ND1 3.24Å
182D96.9Very high97.2Very high68 Ų6813.3 Ų13.336%0.3647%0.07SC..SBendtrans-81.8-26.8173-64-73.6000111.9L147 I148 H249L147-D182 VanDerWaalsContact CA-OD2 3.3Å; L147-D182 WeakPolarHBondContact CA-OD2 3.46Å; L147-D182 HydrophobicContact CD2-CB 3.88Å; I148-D182 PolarHBondContact N-OD2 3.31Å; I148-D182 PolarHBondContact O-N 2.83Å; D182-H249 WeakPolarHBondContact O-CB 3.45Å
183C97.4Very high96.9Very high0 Ų015.1 Ų15.10%08%0.079CC..EExtended strand (participates in β ladder)trans-154.5124.5-178.1175.30000111I148 Q149 T150 I239 L251I148-C183 PolarHBondContact O-N 3.18Å; Q149-C183 CarbonylContact C-O 3.57Å; Q149-C183 WeakPolarHBondContact CA-O 3.25Å; Q149-C183 HydrophobicContact CB-CB 4.47Å; Q149-C183 HydrophobicContact CG-CB 4.16Å; T150-C183 PolarHBondContact N-O 3.05Å; C183-I239 HydrophobicContact CB-CD1 3.78Å; C183-I239 HydrophobicContact CB-CG1 4.12Å; C183-I239 HydrophobicContact CB-CG2 3.78Å; C183-L251 WeakPolarHBondContact SG-CD1 3.29Å
184V98.6Very high96.6Very high0 Ų019.2 Ų19.20%09%0.094CC..EExtended strand (participates in β ladder)trans-114.3104178.6179.80000109.5T150 L177 A181 V186 H249 F250 L251T150-V184 WeakPolarHBondContact OG1-CG1 3.48Å; L177-V184 HydrophobicContact CB-CG2 4.09Å; L177-V184 HydrophobicContact CD1-CG1 4.34Å; L177-V184 HydrophobicContact CD2-CG1 4.42Å; L177-V184 HydrophobicContact CD2-CG2 3.98Å; A181-V184 HydrophobicContact CB-CG2 3.68Å; V184-V186 HydrophobicContact CG1-CG2 4.19Å; V184-V186 PolarHBondContact O-N 2.78Å; V184-H249 PolarHBondContact N-O 2.8Å; V184-F250 HydrophobicContact CB-CD1 3.65Å; V184-F250 HydrophobicContact CB-CE1 3.9Å; V184-F250 HydrophobicContact CB-CG 4.16Å; V184-F250 HydrophobicContact CG1-CD1 3.5Å; V184-F250 HydrophobicContact CG1-CE1 3.64Å; V184-F250 HydrophobicContact CG1-CG 4.46Å; V184-F250 HydrophobicContact CG2-CD1 4.23Å; V184-F250 HydrophobicContact CG2-CE1 4.01Å; V184-F250 HydrophobicContact CG2-CZ 4.29Å; V184-F250 CarbonylContact O-C 3.01Å; V184-F250 WeakPolarHBondContact O-CA 3.49Å; V184-L251 PolarHBondContact O-N 2.81Å
185V98.4Very high96.2Very high0 Ų019.4 Ų19.40%010%0.095CC..EExtended strand (participates in β ladder)trans-79.5112.1170.2-175.90000108.5T150 Y151 S152 T253T150-V185 WeakPolarHBondContact O-CB 3.47Å; T150-V185 PolarHBondContact O-N 2.92Å; Y151-V185 WeakPolarHBondContact CA-O 3.5Å; Y151-V185 HydrophobicContact CD1-CB 3.67Å; Y151-V185 HydrophobicContact CD1-CG1 3.71Å; Y151-V185 HydrophobicContact CD1-CG2 4.21Å; Y151-V185 HydrophobicContact CE1-CB 3.82Å; Y151-V185 HydrophobicContact CE1-CG1 3.77Å; Y151-V185 HydrophobicContact CE1-CG2 3.87Å; Y151-V185 HydrophobicContact CG-CB 4.34Å; S152-V185 PolarHBondContact N-O 3.39Å; V185-T253 HydrophobicContact CG1-CG2 3.35Å
186V98.3Very high95.9Very high0 Ų018.1 Ų18.10%09%0.089CC..EExtended strand (participates in β ladder)trans-82.1123.2-177.5173.40000110.6F154 V184 D188 F250 L251 V287 I366 L369F154-V186 HydrophobicContact CD2-CB 4.41Å; F154-V186 HydrophobicContact CD2-CG1 3.66Å; F154-V186 HydrophobicContact CD2-CG2 4.33Å; F154-V186 HydrophobicContact CE2-CB 4.27Å; F154-V186 HydrophobicContact CE2-CG1 3.9Å; F154-V186 HydrophobicContact CE2-CG2 3.71Å; F154-V186 HydrophobicContact CG-CG1 4Å; F154-V186 HydrophobicContact CZ-CG1 4.42Å; F154-V186 HydrophobicContact CZ-CG2 4.03Å; V184-V186 HydrophobicContact CG1-CG2 4.19Å; V184-V186 PolarHBondContact O-N 2.78Å; V186-D188 HydrophobicContact CG1-CB 4.44Å; V186-F250 HydrophobicContact CG2-CB 4.45Å; V186-F250 HydrophobicContact CG2-CD1 4.03Å; V186-L251 PolarHBondContact N-O 2.81Å; V186-V287 HydrophobicContact CB-CG2 4.36Å; V186-V287 HydrophobicContact CG1-CG1 4.34Å; V186-V287 HydrophobicContact CG1-CG2 4.1Å; V186-I366 HydrophobicContact CB-CD1 4.2Å; V186-I366 HydrophobicContact CG2-CD1 3.76Å; V186-I366 HydrophobicContact CG2-CG1 4.47Å; V186-L369 HydrophobicContact CG1-CD1 3.8Å
187L97.3Very high95.5Very high2 Ų220.3 Ų20.31%0.0110%0.104CC..EExtended strand (participates in β ladder)trans-108.293.3172.8-56.4175.6000108.6S152 V153 F154 N189 L192 V214S152-L187 PolarHBondContact O-N 3.41Å; V153-L187 CarbonylContact C-O 3.51Å; V153-L187 WeakPolarHBondContact CA-O 3.38Å; V153-L187 HydrophobicContact CG2-CB 4.23Å; V153-L187 HydrophobicContact CG2-CD1 3.95Å; F154-L187 PolarHBondContact N-O 2.84Å; L187-N189 PolarHBondContact O-N 2.99Å; L187-L192 HydrophobicContact CB-CD1 4.43Å; L187-V214 HydrophobicContact CD1-CB 4.48Å; L187-V214 HydrophobicContact CD1-CG1 3.45Å; L187-V214 VanDerWaalsContact CD1-CG1 3.45Å; L187-V214 HydrophobicContact CD1-CG2 4.24Å; L187-V214 HydrophobicContact CD2-CG1 4.24Å; L187-V214 HydrophobicContact CD2-CG2 4.41Å; L187-V214 HydrophobicContact CG-CG1 4.45Å
188D96.1Very high95.1Very high0 Ų025.1 Ų25.10%013%0.13CC..EExtended strand (participates in β ladder)trans-87.7109.1-175.6174.117.1000111.5V186 T190 A191 L192 V287 S288V186-D188 HydrophobicContact CG1-CB 4.44Å; D188-T190 PolarHBondContact O-N 3.18Å; D188-T190 WeakPolarHBondContact OD1-CB 3.16Å; D188-T190 PolarHBondContact OD1-N 3.47Å; D188-T190 PolarHBondContact OD1-OG1 2.69Å; D188-A191 HydrophobicContact CB-CB 4.21Å; D188-A191 PolarHBondContact O-N 2.84Å; D188-L192 WeakPolarHBondContact O-CG 3.39Å; D188-L192 PolarHBondContact O-N 3.19Å; D188-V287 HydrophobicContact CB-CB 4.5Å; D188-V287 HydrophobicContact CB-CG1 4.26Å; D188-V287 HydrophobicContact CB-CG2 4.5Å; D188-S288 WeakPolarHBondContact OD2-CA 3.41Å; D188-S288 WeakPolarHBondContact OD2-CB 3.35Å; D188-S288 PolarHBondContact OD2-N 3.31Å
189N94.3Very high94.5Very high35 Ų3529.4 Ų29.419%0.18715%0.145CC..Hα-helixtrans-57.4-33.7177.8-80.2-13000112.3V153 F154 N156 L187 A191 L192 H193V153-N189 WeakPolarHBondContact CG1-ND2 3.43Å; F154-N189 WeakPolarHBondContact O-CB 3.39Å; F154-N189 PolarHBondContact O-N 3.06Å; F154-N189 VanDerWaalsContact O-N 3.09Å; N156-N189 HydrophobicContact CB-CB 4.3Å; L187-N189 PolarHBondContact O-N 2.99Å; N189-A191 VanDerWaalsContact C-N 3.32Å; N189-A191 PolarHBondContact O-N 3.25Å; N189-L192 PolarHBondContact O-N 2.84Å; N189-H193 WeakPolarHBondContact O-CB 3.44Å; N189-H193 PolarHBondContact O-CD2 2.9Å; N189-H193 PolarHBondContact O-N 2.96Å
190T93.3Very high94Very high4 Ų426 Ų263%0.02513%0.128CC..Hα-helixtrans-56.5-48.7175.7-40.60000110.8N156 L157 E158 D188 R194N156-T190 WeakPolarHBondContact CA-OG1 3.44Å; L157-T190 PolarHBondContact N-OG1 2.95Å; L157-T190 VanDerWaalsContact N-OG1 3.13Å; E158-T190 HydrophobicContact CB-CG2 4.08Å; E158-T190 HydrophobicContact CG-CG2 3.55Å; E158-T190 VanDerWaalsContact OE1-CG2 3.27Å; E158-T190 WeakPolarHBondContact OE1-CG2 3.28Å; D188-T190 PolarHBondContact O-N 3.18Å; D188-T190 WeakPolarHBondContact OD1-CB 3.16Å; D188-T190 PolarHBondContact OD1-N 3.47Å; D188-T190 PolarHBondContact OD1-OG1 2.69Å; T190-R194 WeakPolarHBondContact O-CB 3.44Å; T190-R194 PolarHBondContact O-N 2.77Å
191A94.1Very high93.6Very high0 Ų031.6 Ų31.60%015%0.152CC..Hα-helixtrans-75.1-37.1-179.300000113.1D188 N189 R194 I195 M286D188-A191 HydrophobicContact CB-CB 4.21Å; D188-A191 PolarHBondContact O-N 2.84Å; N189-A191 VanDerWaalsContact C-N 3.32Å; N189-A191 PolarHBondContact O-N 3.25Å; A191-R194 PolarHBondContact O-N 2.71Å; A191-I195 WeakPolarHBondContact O-CB 3.44Å; A191-I195 VanDerWaalsContact O-CG1 3.29Å; A191-I195 WeakPolarHBondContact O-CG1 3.22Å; A191-I195 PolarHBondContact O-N 3.47Å; A191-M286 WeakPolarHBondContact CB-O 3.45Å
192L94.2Very high93.1Very high2 Ų232.7 Ų32.71%0.0116%0.157CC..Hα-helixtrans-64.9-43.7178.6-68.8169000111.6L187 D188 N189 I195 A196 I210 L213 V214 M286L187-L192 HydrophobicContact CB-CD1 4.43Å; D188-L192 WeakPolarHBondContact O-CG 3.39Å; D188-L192 PolarHBondContact O-N 3.19Å; N189-L192 PolarHBondContact O-N 2.84Å; L192-I195 PolarHBondContact O-N 2.85Å; L192-A196 PolarHBondContact O-N 3.46Å; L192-I210 HydrophobicContact CB-CD1 4.32Å; L192-I210 HydrophobicContact CB-CG2 4.09Å; L192-I210 HydrophobicContact CD1-CG2 4.12Å; L192-L213 HydrophobicContact CD2-CB 4.23Å; L192-L213 HydrophobicContact CD2-CD1 4.48Å; L192-V214 HydrophobicContact CD1-CG2 3.68Å; L192-M286 HydrophobicContact CD2-CB 4.28Å; L192-M286 HydrophobicContact CD2-CG 4.49Å; L192-M286 HydrophobicContact CD2-SD 4.22Å
193H92.2Very high92.7Very high39 Ų3937.3 Ų37.318%0.18118%0.176CC..Hα-helixtrans-61.1-49.1174-83.2-100.7000111N189 I195 A196 T197N189-H193 WeakPolarHBondContact O-CB 3.44Å; N189-H193 PolarHBondContact O-CD2 2.9Å; N189-H193 PolarHBondContact O-N 2.96Å; H193-I195 VanDerWaalsContact C-N 3.31Å; H193-I195 PolarHBondContact O-N 2.91Å; H193-A196 PolarHBondContact O-N 3.09Å; H193-A196 VanDerWaalsContact O-N 3.12Å; H193-T197 PolarHBondContact O-N 3.4Å; H193-T197 PolarHBondContact O-OG1 2.89Å
194R91.3Very high92.2Very high86 Ų8644.3 Ų44.333%0.32521%0.214SC..Hα-helixtrans-56.3-43.1175.5-176.2-178.264.6-146.8-3.5112.6T190 A191 T197 D198 S288T190-R194 WeakPolarHBondContact O-CB 3.44Å; T190-R194 PolarHBondContact O-N 2.77Å; A191-R194 PolarHBondContact O-N 2.71Å; R194-T197 PolarHBondContact O-N 3.09Å; R194-D198 WeakPolarHBondContact CG-OD2 3.39Å; R194-D198 VanDerWaalsContact O-CB 3.24Å; R194-D198 WeakPolarHBondContact O-CB 3.42Å; R194-D198 PolarHBondContact O-N 3.13Å; R194-S288 PolarHBondContact NH1-OG 2.97Å
195I91.6Very high91.8Very high3 Ų345.3 Ų45.32%0.01522%0.22CC..Hα-helixtrans-63.1-44.8177.2-76.7168.6000111A191 L192 H193 T197 R199 L200 L213 L258 M286A191-I195 WeakPolarHBondContact O-CB 3.44Å; A191-I195 VanDerWaalsContact O-CG1 3.29Å; A191-I195 WeakPolarHBondContact O-CG1 3.22Å; A191-I195 PolarHBondContact O-N 3.47Å; L192-I195 PolarHBondContact O-N 2.85Å; H193-I195 VanDerWaalsContact C-N 3.31Å; H193-I195 PolarHBondContact O-N 2.91Å; I195-T197 VanDerWaalsContact C-N 3.33Å; I195-T197 PolarHBondContact O-N 3.05Å; I195-R199 HydrophobicContact CG2-CB 4.43Å; I195-R199 HydrophobicContact CG2-CG 4.49Å; I195-R199 WeakPolarHBondContact O-CA 3.46Å; I195-R199 WeakPolarHBondContact O-CB 3.47Å; I195-R199 PolarHBondContact O-N 3.2Å; I195-L200 PolarHBondContact O-N 2.9Å; I195-L213 HydrophobicContact CG2-CD1 4.15Å; I195-L258 HydrophobicContact CG2-CD1 3.56Å; I195-M286 HydrophobicContact CD1-CB 4.2Å; I195-M286 HydrophobicContact CD1-CG 3.65Å
196A91.4Very high91.5Very high1 Ų147.8 Ų47.81%0.00824%0.237CC..Hα-helixtrans-62.5-41.5179.300000111.6L192 H193 L200 H201 I202 P205 I210 L213L192-A196 PolarHBondContact O-N 3.46Å; H193-A196 PolarHBondContact O-N 3.09Å; H193-A196 VanDerWaalsContact O-N 3.12Å; A196-L200 CarbonylContact O-C 3.58Å; A196-L200 WeakPolarHBondContact O-CA 3.16Å; A196-L200 WeakPolarHBondContact O-CB 3.3Å; A196-L200 PolarHBondContact O-N 3.09Å; A196-H201 PolarHBondContact O-N 3Å; A196-I202 HydrophobicContact CB-CD1 4.43Å; A196-I202 WeakPolarHBondContact O-CB 3.39Å; A196-I202 PolarHBondContact O-N 3.49Å; A196-P205 HydrophobicContact CB-CB 3.58Å; A196-P205 HydrophobicContact CB-CG 3.97Å; A196-I210 HydrophobicContact CB-CD1 3.9Å; A196-L213 HydrophobicContact CB-CD1 4.41Å
197T91.1Very high91Very high54 Ų5455.5 Ų55.533%0.33127%0.271SS..Hα-helixtrans-73.2-54.4178.3-54.80000112.6H193 R194 I195 H201 I202H193-T197 PolarHBondContact O-N 3.4Å; H193-T197 PolarHBondContact O-OG1 2.89Å; R194-T197 PolarHBondContact O-N 3.09Å; I195-T197 VanDerWaalsContact C-N 3.33Å; I195-T197 PolarHBondContact O-N 3.05Å; T197-H201 VanDerWaalsContact O-CA 3.31Å; T197-H201 WeakPolarHBondContact O-CA 3.36Å; T197-H201 PolarHBondContact O-N 3.44Å; T197-I202 VanDerWaalsContact CA-O 3.31Å; T197-I202 WeakPolarHBondContact CA-O 3.26Å; T197-I202 PolarHBondContact OG1-O 2.82Å
198D89.2Confident90.7Very high101 Ų10157.8 Ų57.854%0.5429%0.29SS..Hα-helixtrans-78.6-30.5-170.4-65.3-12000113.3R194R194-D198 WeakPolarHBondContact CG-OD2 3.39Å; R194-D198 VanDerWaalsContact O-CB 3.24Å; R194-D198 WeakPolarHBondContact O-CB 3.42Å; R194-D198 PolarHBondContact O-N 3.13Å
199R85.5Confident90.5Very high97 Ų9760.7 Ų60.737%0.36630%0.304SS..Hα-helixtrans-110.4-35-169.7-49.7-73.4-86.1147.55.2112.8I195 N284I195-R199 HydrophobicContact CG2-CB 4.43Å; I195-R199 HydrophobicContact CG2-CG 4.49Å; I195-R199 WeakPolarHBondContact O-CA 3.46Å; I195-R199 WeakPolarHBondContact O-CB 3.47Å; I195-R199 PolarHBondContact O-N 3.2Å; R199-N284 PolarHBondContact NH2-OD1 3.34Å
200L87.8Confident90.4Very high21 Ų2159.2 Ų59.211%0.1130%0.296CS..Hα-helixtrans-99-0.7176.8-58-178.4000112.5I195 A196 I202 L213 L258 T260I195-L200 PolarHBondContact O-N 2.9Å; A196-L200 CarbonylContact O-C 3.58Å; A196-L200 WeakPolarHBondContact O-CA 3.16Å; A196-L200 WeakPolarHBondContact O-CB 3.3Å; A196-L200 PolarHBondContact O-N 3.09Å; L200-I202 HydrophobicContact CB-CD1 3.79Å; L200-I202 HydrophobicContact CB-CG1 3.91Å; L200-I202 HydrophobicContact CD1-CD1 4.16Å; L200-I202 PolarHBondContact O-N 3.39Å; L200-L213 HydrophobicContact CD1-CD1 4.33Å; L200-L213 HydrophobicContact CD1-CD2 3.98Å; L200-L213 HydrophobicContact CD1-CG 4.44Å; L200-L258 HydrophobicContact CD2-CB 4.22Å; L200-T260 HydrophobicContact CB-CG2 3.75Å; L200-T260 HydrophobicContact CD2-CG2 3.9Å; L200-T260 HydrophobicContact CG-CG2 4.35Å; L200-T260 VanDerWaalsContact O-CG2 3.29Å; L200-T260 WeakPolarHBondContact O-CG2 3.38Å
201H88.2Confident90.4Very high143 Ų14362.7 Ų62.766%0.66232%0.315SS*.  trans56.135.2178.8-56.5-57.1000113.1A196 T197A196-H201 PolarHBondContact O-N 3Å; T197-H201 VanDerWaalsContact O-CA 3.31Å; T197-H201 WeakPolarHBondContact O-CA 3.36Å; T197-H201 PolarHBondContact O-N 3.44Å
202I88.9Confident90.4Very high30 Ų3067.7 Ų67.715%0.15434%0.338CS..  trans-97.8101.8177.1-52.8170.3000107.9A196 T197 L200 N204 P205 Q209A196-I202 HydrophobicContact CB-CD1 4.43Å; A196-I202 WeakPolarHBondContact O-CB 3.39Å; A196-I202 PolarHBondContact O-N 3.49Å; T197-I202 VanDerWaalsContact CA-O 3.31Å; T197-I202 WeakPolarHBondContact CA-O 3.26Å; T197-I202 PolarHBondContact OG1-O 2.82Å; L200-I202 HydrophobicContact CB-CD1 3.79Å; L200-I202 HydrophobicContact CB-CG1 3.91Å; L200-I202 HydrophobicContact CD1-CD1 4.16Å; L200-I202 PolarHBondContact O-N 3.39Å; I202-N204 PolarHBondContact O-N 3.13Å; I202-P205 HydrophobicContact CB-CB 4.47Å; I202-P205 HydrophobicContact CG2-CB 4.01Å; I202-Q209 HydrophobicContact CD1-CB 4.41Å; I202-Q209 HydrophobicContact CD1-CG 4.44Å
203E87.3Confident90.3Very high166 Ų16668.1 Ų68.178%0.77634%0.34SS*.SBendtrans-58.2-46.5-175-66.7-176.6168.500113.1
204N87.6Confident90.5Very high147 Ų14766.9 Ų66.979%0.78634%0.335SS*.SBendtrans-123.184.7176.6-67.6-58.9000109.7I202 S206I202-N204 PolarHBondContact O-N 3.13Å; N204-S206 PolarHBondContact O-N 3.3Å
205P90Very high90.7Very high20 Ų2063 Ų6313%0.1332%0.321CS..  trans-67123.2-176.328-33.8000111A196 I202 I210A196-P205 HydrophobicContact CB-CB 3.58Å; A196-P205 HydrophobicContact CB-CG 3.97Å; I202-P205 HydrophobicContact CB-CB 4.47Å; I202-P205 HydrophobicContact CG2-CB 4.01Å; P205-I210 HydrophobicContact CB-CD1 3.92Å; P205-I210 HydrophobicContact CB-CG1 4.25Å; P205-I210 HydrophobicContact CG-CD1 4.26Å
206S90.9Very high90.7Very high53 Ų5365.9 Ų65.937%0.37133%0.334SS..  trans-72.7158.7174.365.40000111.6N204 A208 Q209 I210N204-S206 PolarHBondContact O-N 3.3Å; S206-A208 PolarHBondContact O-N 3.07Å; S206-A208 VanDerWaalsContact O-N 3.16Å; S206-Q209 PolarHBondContact O-N 3.13Å; S206-Q209 WeakPolarHBondContact OG-CG 3.33Å; S206-Q209 PolarHBondContact OG-N 2.97Å; S206-Q209 PolarHBondContact OG-OE1 2.81Å; S206-I210 PolarHBondContact O-N 3.29Å
207F89.6Confident90.9Very high161 Ų16165.9 Ų65.971%0.70633%0.334SS*.Hα-helixtrans-55.3-33.5172.7-69.7-59.5000112.9N211F207-N211 WeakPolarHBondContact O-CB 3.25Å; F207-N211 PolarHBondContact O-N 3.49Å; F207-N211 PolarHBondContact O-ND2 3.38Å; F207-N211 VanDerWaalsContact O-ND2 3.13Å
208A90Very high91.1Very high50 Ų5063.7 Ų63.741%0.41332%0.32SS..Hα-helixtrans-62.2-44.6176.300000111.6S206 N211 Q212S206-A208 PolarHBondContact O-N 3.07Å; S206-A208 VanDerWaalsContact O-N 3.16Å; A208-N211 PolarHBondContact O-N 3.34Å; A208-Q212 WeakPolarHBondContact O-CG 3.19Å; A208-Q212 PolarHBondContact O-N 3.13Å
209Q91.3Very high91.4Very high62 Ų6259 Ų5929%0.2930%0.295SS..Hα-helixtrans-69.1-40179.1-70.7162.1-50.300112.3I202 S206 N211 Q212 L213I202-Q209 HydrophobicContact CD1-CB 4.41Å; I202-Q209 HydrophobicContact CD1-CG 4.44Å; S206-Q209 PolarHBondContact O-N 3.13Å; S206-Q209 WeakPolarHBondContact OG-CG 3.33Å; S206-Q209 PolarHBondContact OG-N 2.97Å; S206-Q209 PolarHBondContact OG-OE1 2.81Å; Q209-N211 VanDerWaalsContact C-N 3.34Å; Q209-Q212 WeakPolarHBondContact O-CB 3.11Å; Q209-Q212 PolarHBondContact O-N 2.68Å; Q209-L213 PolarHBondContact O-N 2.93Å
210I93.6Very high91.9Very high3 Ų354.5 Ų54.52%0.01528%0.278CS..Hα-helixtrans-63.2-43173.3-61.7-60.5000110.6L192 A196 P205 S206 Q212 L213 V214L192-I210 HydrophobicContact CB-CD1 4.32Å; L192-I210 HydrophobicContact CB-CG2 4.09Å; L192-I210 HydrophobicContact CD1-CG2 4.12Å; A196-I210 HydrophobicContact CB-CD1 3.9Å; P205-I210 HydrophobicContact CB-CD1 3.92Å; P205-I210 HydrophobicContact CB-CG1 4.25Å; P205-I210 HydrophobicContact CG-CD1 4.26Å; S206-I210 PolarHBondContact O-N 3.29Å; I210-Q212 VanDerWaalsContact C-N 3.28Å; I210-Q212 PolarHBondContact O-N 3.08Å; I210-L213 WeakPolarHBondContact O-CB 3.38Å; I210-L213 PolarHBondContact O-N 2.87Å; I210-L213 VanDerWaalsContact O-N 3.12Å; I210-V214 PolarHBondContact O-N 3.35Å; I210-V214 VanDerWaalsContact O-N 3.09Å
211N93.7Very high92.2Very high78 Ų7853.8 Ų53.842%0.41728%0.275SS..Hα-helixtrans-66.6-27.4178.1-72.4-22000113.1E2 F207 A208 Q209 V214 S215E2-N211 HydrophobicContact CB-CB 4.29Å; E2-N211 HydrophobicContact CG-CB 3.89Å; F207-N211 WeakPolarHBondContact O-CB 3.25Å; F207-N211 PolarHBondContact O-N 3.49Å; F207-N211 PolarHBondContact O-ND2 3.38Å; F207-N211 VanDerWaalsContact O-ND2 3.13Å; A208-N211 PolarHBondContact O-N 3.34Å; Q209-N211 VanDerWaalsContact C-N 3.34Å; N211-V214 PolarHBondContact O-N 2.98Å; N211-S215 WeakPolarHBondContact O-CB 3.48Å; N211-S215 PolarHBondContact O-N 2.76Å
212Q92.8Very high92.5Very high104 Ų10447.2 Ų47.249%0.48625%0.245SC..Hα-helixtrans-65.3-40.6170.7-75170.4-9.200111.8A208 Q209 I210 S215 K216A208-Q212 WeakPolarHBondContact O-CG 3.19Å; A208-Q212 PolarHBondContact O-N 3.13Å; Q209-Q212 WeakPolarHBondContact O-CB 3.11Å; Q209-Q212 PolarHBondContact O-N 2.68Å; I210-Q212 VanDerWaalsContact C-N 3.28Å; I210-Q212 PolarHBondContact O-N 3.08Å; Q212-S215 PolarHBondContact O-N 3.11Å; Q212-K216 WeakPolarHBondContact O-CB 3.36Å; Q212-K216 PolarHBondContact O-N 2.87Å
213L92.9Very high92.8Very high12 Ų1245.8 Ų45.86%0.06324%0.238CC..Hα-helixtrans-62-47174-70.8175.5000111.5L192 I195 A196 L200 Q209 I210 K216 V217 L258L192-L213 HydrophobicContact CD2-CB 4.23Å; L192-L213 HydrophobicContact CD2-CD1 4.48Å; I195-L213 HydrophobicContact CG2-CD1 4.15Å; A196-L213 HydrophobicContact CB-CD1 4.41Å; L200-L213 HydrophobicContact CD1-CD1 4.33Å; L200-L213 HydrophobicContact CD1-CD2 3.98Å; L200-L213 HydrophobicContact CD1-CG 4.44Å; Q209-L213 PolarHBondContact O-N 2.93Å; I210-L213 WeakPolarHBondContact O-CB 3.38Å; I210-L213 PolarHBondContact O-N 2.87Å; I210-L213 VanDerWaalsContact O-N 3.12Å; L213-K216 WeakPolarHBondContact O-CB 3.35Å; L213-K216 PolarHBondContact O-N 3.35Å; L213-V217 PolarHBondContact O-N 3.04Å; L213-V217 VanDerWaalsContact O-N 3.14Å; L213-L258 HydrophobicContact CD2-CD2 3.79Å
214V95.5Very high93Very high13 Ų1337.9 Ų37.98%0.07920%0.201CC..Hα-helixtrans-60.3-47.8176.9171.10000110.9L187 L192 I210 N211 K216 V217 M218L187-V214 HydrophobicContact CD1-CB 4.48Å; L187-V214 HydrophobicContact CD1-CG1 3.45Å; L187-V214 VanDerWaalsContact CD1-CG1 3.45Å; L187-V214 HydrophobicContact CD1-CG2 4.24Å; L187-V214 HydrophobicContact CD2-CG1 4.24Å; L187-V214 HydrophobicContact CD2-CG2 4.41Å; L187-V214 HydrophobicContact CG-CG1 4.45Å; L192-V214 HydrophobicContact CD1-CG2 3.68Å; I210-V214 PolarHBondContact O-N 3.35Å; I210-V214 VanDerWaalsContact O-N 3.09Å; N211-V214 PolarHBondContact O-N 2.98Å; V214-K216 VanDerWaalsContact C-N 3.29Å; V214-K216 PolarHBondContact O-N 3.38Å; V214-V217 WeakPolarHBondContact O-CB 3.27Å; V214-V217 PolarHBondContact O-N 3.16Å; V214-V217 VanDerWaalsContact O-N 3.12Å; V214-M218 HydrophobicContact CG1-CG 4.27Å; V214-M218 HydrophobicContact CG1-SD 3.69Å; V214-M218 WeakPolarHBondContact O-CG 3.34Å; V214-M218 PolarHBondContact O-N 3.46Å
215S95.3Very high93.3Very high4 Ų431.4 Ų31.43%0.02817%0.166CC..Hα-helixtrans-56.5-43.2176.9174.10000111.9E2 F3 Q6 N211 Q212 V217 M218 S219E2-S215 VanDerWaalsContact C-OG 3.3Å; E2-S215 PolarHBondContact O-OG 3.09Å; F3-S215 VanDerWaalsContact CA-OG 3.25Å; F3-S215 WeakPolarHBondContact CA-OG 3.48Å; F3-S215 PolarHBondContact N-OG 3.05Å; Q6-S215 VanDerWaalsContact CB-OG 3.25Å; Q6-S215 WeakPolarHBondContact CB-OG 3.49Å; N211-S215 WeakPolarHBondContact O-CB 3.48Å; N211-S215 PolarHBondContact O-N 2.76Å; Q212-S215 PolarHBondContact O-N 3.11Å; S215-V217 VanDerWaalsContact C-N 3.32Å; S215-V217 PolarHBondContact O-N 3.25Å; S215-M218 PolarHBondContact O-N 3.1Å; S215-S219 WeakPolarHBondContact O-CB 3.29Å; S215-S219 PolarHBondContact O-N 3.31Å
216K92.8Very high93.5Very high64 Ų6430.5 Ų30.528%0.27816%0.16SC..Hα-helixtrans-61.8-39.7177.4-163.5174.1-161.1179.10112.4Q212 L213 V214 A220 Y255Q212-K216 WeakPolarHBondContact O-CB 3.36Å; Q212-K216 PolarHBondContact O-N 2.87Å; L213-K216 WeakPolarHBondContact O-CB 3.35Å; L213-K216 PolarHBondContact O-N 3.35Å; V214-K216 VanDerWaalsContact C-N 3.29Å; V214-K216 PolarHBondContact O-N 3.38Å; K216-A220 VanDerWaalsContact O-CB 3.23Å; K216-A220 WeakPolarHBondContact O-CB 3.47Å; K216-A220 PolarHBondContact O-N 2.89Å; K216-Y255 HydrophobicContact CD-CD1 4.12Å; K216-Y255 HydrophobicContact CD-CE1 3.69Å; K216-Y255 VanDerWaalsContact CE-CZ 3.47Å; K216-Y255 WeakPolarHBondContact CE-OH 3.42Å; K216-Y255 HydrophobicContact CG-CE1 4.19Å; K216-Y255 HydrophobicContact CG-CE2 4.12Å
217V94.4Very high93.6Very high1 Ų128.1 Ų28.11%0.00614%0.143CC..Hα-helixtrans-65.6-50.1175169.30000111L213 V214 S215 S219 A220 S221 T253 M286 L358L213-V217 PolarHBondContact O-N 3.04Å; L213-V217 VanDerWaalsContact O-N 3.14Å; V214-V217 WeakPolarHBondContact O-CB 3.27Å; V214-V217 PolarHBondContact O-N 3.16Å; V214-V217 VanDerWaalsContact O-N 3.12Å; S215-V217 VanDerWaalsContact C-N 3.32Å; S215-V217 PolarHBondContact O-N 3.25Å; V217-S219 VanDerWaalsContact C-N 3.34Å; V217-S219 PolarHBondContact O-N 3.43Å; V217-A220 PolarHBondContact O-N 2.99Å; V217-S221 WeakPolarHBondContact O-CB 3.47Å; V217-S221 PolarHBondContact O-N 3.36Å; V217-S221 PolarHBondContact O-OG 3.02Å; V217-S221 VanDerWaalsContact O-OG 3.11Å; V217-T253 HydrophobicContact CG1-CG2 3.87Å; V217-M286 HydrophobicContact CG2-CE 3.9Å; V217-M286 HydrophobicContact CG2-SD 3.32Å; V217-M286 WeakPolarHBondContact CG2-SD 3.47Å; V217-L358 HydrophobicContact CB-CD1 4.39Å; V217-L358 HydrophobicContact CG1-CD1 3.94Å; V217-L358 HydrophobicContact CG2-CD1 4.25Å
218M96.8Very high93.3Very high8 Ų822.4 Ų22.44%0.03912%0.122CC..Hα-helixtrans-63.2-39.5-179.1-68.4174.967.700112.5F3 T120 Y151 V214 S215 S221 T222F3-M218 HydrophobicContact CB-CE 4.32Å; F3-M218 HydrophobicContact CB-SD 4.47Å; F3-M218 HydrophobicContact CD1-CE 4.06Å; F3-M218 HydrophobicContact CD2-CB 3.54Å; F3-M218 HydrophobicContact CD2-CE 4.04Å; F3-M218 HydrophobicContact CD2-SD 4.41Å; F3-M218 HydrophobicContact CE1-CE 4.37Å; F3-M218 HydrophobicContact CE2-CB 3.63Å; F3-M218 HydrophobicContact CE2-CE 4.35Å; F3-M218 HydrophobicContact CG-CB 4.43Å; F3-M218 HydrophobicContact CG-CE 3.87Å; F3-M218 HydrophobicContact CG-SD 4.44Å; F3-M218 HydrophobicContact CZ-CE 4.49Å; T120-M218 WeakPolarHBondContact OG1-CE 3.19Å; Y151-M218 HydrophobicContact CD1-CG 3.5Å; Y151-M218 HydrophobicContact CD1-SD 4.4Å; Y151-M218 HydrophobicContact CD2-CE 4.05Å; Y151-M218 HydrophobicContact CD2-CG 4.39Å; Y151-M218 HydrophobicContact CE1-CB 4.29Å; Y151-M218 HydrophobicContact CE1-CG 3.65Å; Y151-M218 HydrophobicContact CG-CE 4.15Å; Y151-M218 HydrophobicContact CG-CG 3.9Å; Y151-M218 HydrophobicContact CG-SD 4.27Å; V214-M218 HydrophobicContact CG1-CG 4.27Å; V214-M218 HydrophobicContact CG1-SD 3.69Å; V214-M218 WeakPolarHBondContact O-CG 3.34Å; V214-M218 PolarHBondContact O-N 3.46Å; S215-M218 PolarHBondContact O-N 3.1Å; M218-S221 WeakPolarHBondContact CA-OG 3.3Å; M218-S221 PolarHBondContact O-OG 3.35Å; M218-T222 WeakPolarHBondContact O-CG2 3.37Å; M218-T222 PolarHBondContact O-N 2.67Å; M218-T222 PolarHBondContact O-OG1 3.11Å
219S95.3Very high92.9Very high2 Ų221.7 Ų21.71%0.01411%0.114CC..Hα-helixtrans-65.3-47.6175176.40000110.6E10 S215 V217 S221 T222 A223 R226E10-S219 PolarHBondContact OE1-OG 3.27Å; E10-S219 PolarHBondContact OE2-OG 2.62Å; S215-S219 WeakPolarHBondContact O-CB 3.29Å; S215-S219 PolarHBondContact O-N 3.31Å; V217-S219 VanDerWaalsContact C-N 3.34Å; V217-S219 PolarHBondContact O-N 3.43Å; S219-S221 PolarHBondContact O-N 3.48Å; S219-T222 PolarHBondContact O-N 3.21Å; S219-T222 PolarHBondContact O-OG1 3.43Å; S219-A223 PolarHBondContact O-N 3.36Å; S219-A223 VanDerWaalsContact O-N 3.09Å; S219-R226 PolarHBondContact O-NH2 2.97Å; S219-R226 PolarHBondContact OG-NH2 3.36Å
220A94.5Very high92.3Very high3 Ų329.1 Ų29.13%0.02514%0.141CC..Hα-helixtrans-66.5-34.8-179.300000113.1K216 V217 T222 A223 Y255 L358K216-A220 VanDerWaalsContact O-CB 3.23Å; K216-A220 WeakPolarHBondContact O-CB 3.47Å; K216-A220 PolarHBondContact O-N 2.89Å; V217-A220 PolarHBondContact O-N 2.99Å; A220-T222 VanDerWaalsContact C-N 3.25Å; A220-T222 PolarHBondContact O-N 3.18Å; A220-A223 WeakPolarHBondContact O-CB 3.36Å; A220-A223 PolarHBondContact O-N 3.06Å; A220-Y255 HydrophobicContact CB-CD2 4.37Å; A220-Y255 HydrophobicContact CB-CE2 3.83Å; A220-L358 HydrophobicContact CB-CB 3.99Å; A220-L358 HydrophobicContact CB-CD2 4.12Å
221S95.1Very high91.6Very high6 Ų633.7 Ų33.74%0.04216%0.163CC..Hα-helixtrans-68-26.2178.656.80000113Y151 V217 M218 S219 L358Y151-S221 WeakPolarHBondContact OH-CB 3.37Å; Y151-S221 PolarHBondContact OH-OG 3.07Å; V217-S221 WeakPolarHBondContact O-CB 3.47Å; V217-S221 PolarHBondContact O-N 3.36Å; V217-S221 PolarHBondContact O-OG 3.02Å; V217-S221 VanDerWaalsContact O-OG 3.11Å; M218-S221 WeakPolarHBondContact CA-OG 3.3Å; M218-S221 PolarHBondContact O-OG 3.35Å; S219-S221 PolarHBondContact O-N 3.48Å; S221-L358 VanDerWaalsContact CA-CD2 3.42Å
222T94.7Very high90.9Very high4 Ų431.6 Ų31.63%0.02515%0.152CC..THydrogen-bonded Turntrans-104.92.6-178.5600000112.9F33 M218 S219 A220 T224 L225 R226F33-T222 HydrophobicContact CE2-CG2 4.17Å; F33-T222 HydrophobicContact CZ-CG2 3.74Å; M218-T222 WeakPolarHBondContact O-CG2 3.37Å; M218-T222 PolarHBondContact O-N 2.67Å; M218-T222 PolarHBondContact O-OG1 3.11Å; S219-T222 PolarHBondContact O-N 3.21Å; S219-T222 PolarHBondContact O-OG1 3.43Å; A220-T222 VanDerWaalsContact C-N 3.25Å; A220-T222 PolarHBondContact O-N 3.18Å; T222-T224 VanDerWaalsContact C-N 3.34Å; T222-T224 PolarHBondContact O-N 3.42Å; T222-L225 WeakPolarHBondContact O-CB 3.47Å; T222-L225 PolarHBondContact O-N 3.34Å; T222-R226 PolarHBondContact O-N 3.42Å; T222-R226 PolarHBondContact O-NE 2.79Å; T222-R226 PolarHBondContact OG1-NE 3.32Å
223A94.2Very high90.5Very high0 Ų029 Ų290%014%0.141CC..Hα-helixtrans-64.9-34-171.800000113.3S219 A220 L225 R226 Y227 S343S219-A223 PolarHBondContact O-N 3.36Å; S219-A223 VanDerWaalsContact O-N 3.09Å; A220-A223 WeakPolarHBondContact O-CB 3.36Å; A220-A223 PolarHBondContact O-N 3.06Å; A223-L225 VanDerWaalsContact C-N 3.28Å; A223-L225 PolarHBondContact O-N 2.95Å; A223-R226 PolarHBondContact O-N 2.94Å; A223-Y227 WeakPolarHBondContact O-CB 3.44Å; A223-Y227 PolarHBondContact O-N 3.47Å; A223-S343 VanDerWaalsContact CB-OG 3.26Å; A223-S343 WeakPolarHBondContact CB-OG 3.5Å
224T93Very high90.4Very high0 Ų031.5 Ų31.50%016%0.155CC..Hα-helixtrans-72-23.1178.959.30000113.1T222 N232 I305 A341T222-T224 VanDerWaalsContact C-N 3.34Å; T222-T224 PolarHBondContact O-N 3.42Å; T224-N232 WeakPolarHBondContact CB-O 3.41Å; T224-N232 PolarHBondContact OG1-O 2.78Å; T224-I305 HydrophobicContact CG2-CG2 4.11Å; T224-A341 HydrophobicContact CG2-CB 3.93Å
225L93.8Very high90.2Very high12 Ų1231.4 Ų31.46%0.06315%0.154CC..Hα-helixtrans-73-39.8173.5-53.2178.7000110.6V32 T222 A223 N233 D234 L235 L238V32-L225 HydrophobicContact CG1-CB 4.09Å; V32-L225 WeakPolarHBondContact CG2-O 3.18Å; T222-L225 WeakPolarHBondContact O-CB 3.47Å; T222-L225 PolarHBondContact O-N 3.34Å; A223-L225 VanDerWaalsContact C-N 3.28Å; A223-L225 PolarHBondContact O-N 2.95Å; L225-N233 VanDerWaalsContact CD2-C 3.49Å; L225-N233 WeakPolarHBondContact CD2-O 3.31Å; L225-D234 VanDerWaalsContact CD2-C 3.43Å; L225-L235 HydrophobicContact CD1-CD1 4.28Å; L225-L238 HydrophobicContact CD1-CD1 4.26Å; L225-L238 HydrophobicContact CD2-CD1 3.69Å; L225-L238 HydrophobicContact CG-CD1 3.89Å
226R94Very high90.1Very high0 Ų035.2 Ų35.20%017%0.173CC..Hα-helixtrans-85.8-28.6-176.2-63.7177.9-60110.2-4.8113.5L7 E10 H11 D28 R29 V32 F33 S219 T222 A223 P228L7-R226 VanDerWaalsContact CD2-CZ 3.48Å; E10-R226 IonicContact OE2-CZ 3.15Å; E10-R226 IonicContact OE2-NH1 2.71Å; E10-R226 PolarHBondContact OE2-NH1 3.13Å; E10-R226 IonicContact OE2-NH2 2.73Å; E10-R226 PolarHBondContact OE2-NH2 3.48Å; H11-R226 WeakPolarHBondContact NE2-CD 3.32Å; H11-R226 PolarHBondContact NE2-NH1 3.35Å; D28-R226 CarbonylContact C-O 3.48Å; D28-R226 WeakPolarHBondContact CA-O 3.38Å; R29-R226 PolarHBondContact N-O 2.9Å; V32-R226 HydrophobicContact CB-CG 4.3Å; V32-R226 HydrophobicContact CG1-CG 4.31Å; F33-R226 VanDerWaalsContact CD2-CD 3.45Å; F33-R226 HydrophobicContact CD2-CG 3.79Å; F33-R226 HydrophobicContact CE2-CG 3.94Å; S219-R226 PolarHBondContact O-NH2 2.97Å; S219-R226 PolarHBondContact OG-NH2 3.36Å; T222-R226 PolarHBondContact O-N 3.42Å; T222-R226 PolarHBondContact O-NE 2.79Å; T222-R226 PolarHBondContact OG1-NE 3.32Å; A223-R226 PolarHBondContact O-N 2.94Å; R226-P228 WeakPolarHBondContact O-CD 3.47Å
227Y91.6Very high90Very high4 Ų433.2 Ų33.22%0.01617%0.17CC..SBendtrans-122.980.8176.6-62.1-81.2000109E10 D28 A223 S229 S346E10-Y227 WeakPolarHBondContact CB-OH 3Å; E10-Y227 PolarHBondContact O-OH 2.9Å; D28-Y227 HydrophobicContact CB-CD1 3.7Å; D28-Y227 HydrophobicContact CB-CE1 3.4Å; D28-Y227 VanDerWaalsContact CB-CE1 3.4Å; A223-Y227 WeakPolarHBondContact O-CB 3.44Å; A223-Y227 PolarHBondContact O-N 3.47Å; Y227-S229 PolarHBondContact O-N 2.86Å; Y227-S346 WeakPolarHBondContact OH-CB 3.32Å
228P84.2Confident89.9Confident40 Ų4033.6 Ų33.626%0.2617%0.172SC..  trans-60.3141-170.223.4-33.5000111.8R29 R226 N233R29-P228 HydrophobicContact CG-CG 4.09Å; R226-P228 WeakPolarHBondContact O-CD 3.47Å; P228-N233 WeakPolarHBondContact CA-OD1 3.18Å
229S82.1Confident89.7Confident35 Ų3533.4 Ų33.425%0.24517%0.171CC..  trans-120.5-162.6175.5870000110.1Y227 M231 N233 L342Y227-S229 PolarHBondContact O-N 2.86Å; S229-M231 VanDerWaalsContact C-N 3.31Å; S229-M231 PolarHBondContact OG-N 2.91Å; S229-M231 PolarHBondContact OG-O 2.88Å; S229-N233 PolarHBondContact N-OD1 2.86Å; S229-N233 PolarHBondContact O-ND2 2.79Å; S229-N233 PolarHBondContact O-OD1 2.81Å; S229-L342 PolarHBondContact OG-O 3.35Å
230Y78.7Confident89.5Confident219 Ų21935.8 Ų35.886%0.85919%0.191SC*.SBendtrans-74-20.4172.7178.1-104.7000113.2
231M77.7Confident89.4Confident99 Ų9937.5 Ų37.549%0.48820%0.202SC..SBendtrans-137157.7-176-56.4-171.1-6000112.3S229 N233S229-M231 VanDerWaalsContact C-N 3.31Å; S229-M231 PolarHBondContact OG-N 2.91Å; S229-M231 PolarHBondContact OG-O 2.88Å; M231-N233 PolarHBondContact O-N 3.11Å; M231-N233 PolarHBondContact O-OD1 3.04Å
232N80.2Confident89.3Confident33 Ų3337.3 Ų37.318%0.17620%0.201CC..  trans57.546171.4-53.9-18.8000113.9T224 L238 A341T224-N232 WeakPolarHBondContact CB-O 3.41Å; T224-N232 PolarHBondContact OG1-O 2.78Å; N232-L238 HydrophobicContact CB-CD2 3.68Å; N232-L238 HydrophobicContact CB-CG 4.26Å; N232-A341 HydrophobicContact CB-CB 4.34Å; N232-A341 WeakPolarHBondContact ND2-CB 3.22Å
233N83.1Confident89.2Confident49 Ų4938.5 Ų38.526%0.26221%0.208SC..  trans-92.2-0.6179.9-61-29.4000113.2L225 P228 S229 M231L225-N233 VanDerWaalsContact CD2-C 3.49Å; L225-N233 WeakPolarHBondContact CD2-O 3.31Å; P228-N233 WeakPolarHBondContact CA-OD1 3.18Å; S229-N233 PolarHBondContact N-OD1 2.86Å; S229-N233 PolarHBondContact O-ND2 2.79Å; S229-N233 PolarHBondContact O-OD1 2.81Å; M231-N233 PolarHBondContact O-N 3.11Å; M231-N233 PolarHBondContact O-OD1 3.04Å
234D90.7Very high88.9Confident65 Ų6541.7 Ų41.735%0.34823%0.229SC..SBendtrans-124.4151.9178.161.9-15000110.9E115 L225 I236 G237 L238E115-D234 WeakPolarHBondContact OE2-CA 3.41Å; L225-D234 VanDerWaalsContact CD2-C 3.43Å; D234-I236 HydrophobicContact CB-CG2 4.39Å; D234-I236 WeakPolarHBondContact OD2-CG2 3.44Å; D234-G237 PolarHBondContact O-N 3.44Å; D234-G237 WeakPolarHBondContact OD1-CA 3.38Å; D234-G237 PolarHBondContact OD1-N 2.92Å; D234-L238 PolarHBondContact O-N 2.84Å
235L92.3Very high88.7Confident12 Ų1243.1 Ų43.16%0.06324%0.237CC..Hα-helixtrans-67.1-38.6-175.6-175.360.9000111.4E115 L147 L225 L238 I239E115-L235 HydrophobicContact CB-CB 4.31Å; E115-L235 VanDerWaalsContact OE2-CB 3.25Å; E115-L235 WeakPolarHBondContact OE2-CB 3.49Å; E115-L235 PolarHBondContact OE2-N 2.87Å; L147-L235 HydrophobicContact CB-CD2 4.1Å; L147-L235 HydrophobicContact CD1-CB 4.18Å; L147-L235 HydrophobicContact CD1-CD2 4.11Å; L147-L235 HydrophobicContact CD1-CG 3.88Å; L225-L235 HydrophobicContact CD1-CD1 4.28Å; L235-L238 PolarHBondContact O-N 3.17Å; L235-I239 HydrophobicContact CD1-CD1 3.69Å; L235-I239 HydrophobicContact CD1-CG1 4.24Å; L235-I239 HydrophobicContact CD2-CD1 4.44Å; L235-I239 HydrophobicContact CG-CD1 3.77Å; L235-I239 WeakPolarHBondContact O-CG1 3.45Å; L235-I239 PolarHBondContact O-N 3.42Å
236I92.9Very high88.4Confident84 Ų8448.2 Ų48.243%0.43127%0.271SS..Hα-helixtrans-63.9-41.4176.7-17071.3000111.4L147 D234 L238 I239 A240L147-I236 HydrophobicContact CD1-CB 3.87Å; L147-I236 HydrophobicContact CD1-CD1 3.87Å; L147-I236 HydrophobicContact CD1-CG1 4.49Å; L147-I236 HydrophobicContact CD2-CD1 3.89Å; L147-I236 HydrophobicContact CG-CD1 4.33Å; D234-I236 HydrophobicContact CB-CG2 4.39Å; D234-I236 WeakPolarHBondContact OD2-CG2 3.44Å; I236-L238 VanDerWaalsContact C-N 3.27Å; I236-L238 PolarHBondContact O-N 2.89Å; I236-I239 PolarHBondContact O-N 2.92Å; I236-A240 VanDerWaalsContact O-CB 3.23Å; I236-A240 WeakPolarHBondContact O-CB 3.5Å; I236-A240 PolarHBondContact O-N 3.38Å
237G91.4Very high88.2Confident21 Ų2151.9 Ų51.922%0.21629%0.285CS..Hα-helixtrans-64.6-30.4177.300000113D234 P241D234-G237 PolarHBondContact O-N 3.44Å; D234-G237 WeakPolarHBondContact OD1-CA 3.38Å; D234-G237 PolarHBondContact OD1-N 2.92Å; G237-P241 VanDerWaalsContact O-CD 3.3Å; G237-P241 WeakPolarHBondContact O-CD 3.49Å
238L91.8Very high88.4Confident9 Ų951.7 Ų51.75%0.04728%0.284CS..Hα-helixtrans-75.2-42.1173.2-70.6170.8000113L225 N232 D234 L235 I236 L242 L303L225-L238 HydrophobicContact CD1-CD1 4.26Å; L225-L238 HydrophobicContact CD2-CD1 3.69Å; L225-L238 HydrophobicContact CG-CD1 3.89Å; N232-L238 HydrophobicContact CB-CD2 3.68Å; N232-L238 HydrophobicContact CB-CG 4.26Å; D234-L238 PolarHBondContact O-N 2.84Å; L235-L238 PolarHBondContact O-N 3.17Å; I236-L238 VanDerWaalsContact C-N 3.27Å; I236-L238 PolarHBondContact O-N 2.89Å; L238-L242 WeakPolarHBondContact O-CD1 3.46Å; L238-L303 HydrophobicContact CD2-CD2 3.78Å
239I92.2Very high89Confident4 Ų449.9 Ų49.92%0.02127%0.272CS..Hα-helixtrans-84.4-44.8-171.3-69175.3000112.4L147 Q149 C183 L235 I236 P241 L242 T243L147-I239 HydrophobicContact CD1-CD1 4.37Å; Q149-I239 HydrophobicContact CB-CD1 4.24Å; Q149-I239 HydrophobicContact CG-CD1 4.47Å; C183-I239 HydrophobicContact CB-CD1 3.78Å; C183-I239 HydrophobicContact CB-CG1 4.12Å; C183-I239 HydrophobicContact CB-CG2 3.78Å; L235-I239 HydrophobicContact CD1-CD1 3.69Å; L235-I239 HydrophobicContact CD1-CG1 4.24Å; L235-I239 HydrophobicContact CD2-CD1 4.44Å; L235-I239 HydrophobicContact CG-CD1 3.77Å; L235-I239 WeakPolarHBondContact O-CG1 3.45Å; L235-I239 PolarHBondContact O-N 3.42Å; I236-I239 PolarHBondContact O-N 2.92Å; I239-P241 VanDerWaalsContact C-CD 3.44Å; I239-P241 VanDerWaalsContact C-N 3.31Å; I239-P241 VanDerWaalsContact O-N 3.15Å; I239-L242 WeakPolarHBondContact O-CA 3.5Å; I239-L242 WeakPolarHBondContact O-CB 3.39Å; I239-L242 PolarHBondContact O-N 3.3Å; I239-T243 HydrophobicContact CG2-CG2 4.21Å; I239-T243 PolarHBondContact O-N 3.2Å; I239-T243 PolarHBondContact O-OG1 3.16Å
240A91.9Very high89.8Confident52 Ų5248.2 Ų48.243%0.4326%0.261SS..THydrogen-bonded Turntrans-54.4-39.3-170.200000114I236 L242 T243I236-A240 VanDerWaalsContact O-CB 3.23Å; I236-A240 WeakPolarHBondContact O-CB 3.5Å; I236-A240 PolarHBondContact O-N 3.38Å; A240-L242 VanDerWaalsContact C-N 3.27Å; A240-L242 PolarHBondContact O-N 3.21Å; A240-T243 PolarHBondContact O-N 3.35Å
241P91.3Very high90.7Very high39 Ų3937.8 Ų37.825%0.25322%0.22SC..THydrogen-bonded Turntrans-73.7-17177.2-18.934.5000114.8G237 I239 S301 Q339G237-P241 VanDerWaalsContact O-CD 3.3Å; G237-P241 WeakPolarHBondContact O-CD 3.49Å; I239-P241 VanDerWaalsContact C-CD 3.44Å; I239-P241 VanDerWaalsContact C-N 3.31Å; I239-P241 VanDerWaalsContact O-N 3.15Å; P241-S301 WeakPolarHBondContact O-CB 3.42Å; P241-Q339 VanDerWaalsContact CB-OE1 3.29Å; P241-Q339 VanDerWaalsContact CG-OE1 3.28Å
242L94.4Very high91.7Very high3 Ų333.2 Ų33.22%0.01620%0.197CC..THydrogen-bonded Turntrans-82.6-25.1178.6-70.2167.7000111.9L238 I239 A240 P244 L251 S301 L303 L360 N362L238-L242 WeakPolarHBondContact O-CD1 3.46Å; I239-L242 WeakPolarHBondContact O-CA 3.5Å; I239-L242 WeakPolarHBondContact O-CB 3.39Å; I239-L242 PolarHBondContact O-N 3.3Å; A240-L242 VanDerWaalsContact C-N 3.27Å; A240-L242 PolarHBondContact O-N 3.21Å; L242-P244 WeakPolarHBondContact O-CD 3.01Å; L242-L251 HydrophobicContact CB-CD1 4.19Å; L242-L251 HydrophobicContact CB-CD2 4Å; L242-L251 HydrophobicContact CD1-CD1 3.74Å; L242-L251 HydrophobicContact CG-CD1 4.46Å; L242-S301 VanDerWaalsContact CA-OG 3.29Å; L242-S301 WeakPolarHBondContact CA-OG 3.35Å; L242-S301 PolarHBondContact O-OG 2.96Å; L242-L303 HydrophobicContact CD1-CB 4Å; L242-L303 HydrophobicContact CD1-CD2 3.99Å; L242-L303 HydrophobicContact CD2-CB 3.7Å; L242-L303 HydrophobicContact CG-CB 4.11Å; L242-L360 HydrophobicContact CD1-CB 3.99Å; L242-L360 HydrophobicContact CD1-CD1 4.15Å; L242-L360 HydrophobicContact CD2-CB 4.43Å; L242-L360 WeakPolarHBondContact CD2-O 3.25Å; L242-N362 VanDerWaalsContact O-CB 3.29Å; L242-N362 WeakPolarHBondContact O-CB 3.47Å; L242-N362 PolarHBondContact O-ND2 3.27Å
243T91.9Very high92.5Very high29 Ų2931.7 Ų31.718%0.17819%0.189CC..  trans-122.376.1-169.758.80000111.7I239 A240 T245 H249I239-T243 HydrophobicContact CG2-CG2 4.21Å; I239-T243 PolarHBondContact O-N 3.2Å; I239-T243 PolarHBondContact O-OG1 3.16Å; A240-T243 PolarHBondContact O-N 3.35Å; T243-T245 PolarHBondContact O-N 2.94Å; T243-H249 HydrophobicContact CG2-CB 3.67Å
244P87.3Confident93.1Very high67 Ų6729.4 Ų29.444%0.43518%0.177SC..SBendtrans-69.8-20-174.229.5-36.6000113.9L242 V300 W333L242-P244 WeakPolarHBondContact O-CD 3.01Å; P244-V300 HydrophobicContact CG-CG1 3.37Å; P244-W333 HydrophobicContact CG-CH2 4.36Å
245T88.8Confident93.2Very high29 Ų2927 Ų2718%0.17816%0.163CC..SBendtrans-134.1150.5173.372.50000110.1T243 R247 L248 E418 Y427T243-T245 PolarHBondContact O-N 2.94Å; T245-R247 PolarHBondContact O-N 2.77Å; T245-L248 PolarHBondContact O-N 3.41Å; T245-L248 VanDerWaalsContact O-N 3.07Å; T245-L248 WeakPolarHBondContact OG1-CB 3.36Å; T245-L248 VanDerWaalsContact OG1-CG 3.3Å; T245-L248 WeakPolarHBondContact OG1-CG 3.37Å; T245-L248 PolarHBondContact OG1-N 3.22Å; T245-E418 PolarHBondContact OG1-OE1 3.47Å; T245-Y427 HydrophobicContact CG2-CE1 4.17Å; T245-Y427 WeakPolarHBondContact CG2-OH 3.46Å; T245-Y427 PolarHBondContact OG1-OH 2.97Å
246P87.7Confident93.3Very high119 Ų11926.6 Ų26.677%0.77316%0.161SC*.THydrogen-bonded Turntrans-58.4-22.9-174.5-28.535.8000115.5H249P246-H249 PolarHBondContact O-CE1 2.99Å; P246-H249 PolarHBondContact O-ND1 3.11Å
247R90.7Very high93.1Very high77 Ų7723.2 Ų23.229%0.29115%0.145SC..THydrogen-bonded Turntrans-98.5-15.2179.1-73.4-171.2-67.9-169-0.2113.9T178 T245 H249 L415 E418T178-R247 HydrophobicContact CG2-CG 4.36Å; T245-R247 PolarHBondContact O-N 2.77Å; R247-H249 PolarHBondContact O-N 3.37Å; R247-L415 HydrophobicContact CB-CD1 4.25Å; R247-L415 WeakPolarHBondContact O-CD1 3.43Å; R247-E418 WeakPolarHBondContact CB-OE2 3.43Å; R247-E418 IonicContact CZ-OE2 3.47Å; R247-E418 IonicContact NE-OE2 2.71Å; R247-E418 PolarHBondContact NE-OE2 3.33Å; R247-E418 IonicContact NH2-OE2 3.87Å; R247-E418 PolarHBondContact NH2-OE2 3.12Å
248L95.8Very high92.7Very high0 Ų023.3 Ų23.30%014%0.14CC..  trans-94.669.3174.1-62.8-178.2000108.9T245 V300 N362 E418 A422 Y427T245-L248 PolarHBondContact O-N 3.41Å; T245-L248 VanDerWaalsContact O-N 3.07Å; T245-L248 WeakPolarHBondContact OG1-CB 3.36Å; T245-L248 VanDerWaalsContact OG1-CG 3.3Å; T245-L248 WeakPolarHBondContact OG1-CG 3.37Å; T245-L248 PolarHBondContact OG1-N 3.22Å; L248-V300 HydrophobicContact CD1-CG2 4.49Å; L248-N362 PolarHBondContact O-ND2 2.93Å; L248-E418 HydrophobicContact CD2-CG 4.17Å; L248-E418 HydrophobicContact CG-CG 4.42Å; L248-A422 HydrophobicContact CD1-CB 3.99Å; L248-Y427 HydrophobicContact CD1-CE1 4.5Å; L248-Y427 WeakPolarHBondContact CD1-OH 3.25Å
249H97.2Very high92Very high3 Ų325 Ų251%0.01415%0.151CC..  trans-1257.9-178.161.5-127.9000114.9L177 T178 A181 D182 V184 T243 P246 R247L177-H249 PolarHBondContact O-CE1 3.32Å; L177-H249 PolarHBondContact O-NE2 2.96Å; L177-H249 VanDerWaalsContact O-NE2 3.13Å; T178-H249 PolarHBondContact O-CE1 3.4Å; A181-H249 PolarHBondContact O-CE1 2.83Å; A181-H249 PolarHBondContact O-ND1 3.24Å; D182-H249 WeakPolarHBondContact O-CB 3.45Å; V184-H249 PolarHBondContact N-O 2.8Å; T243-H249 HydrophobicContact CG2-CB 3.67Å; P246-H249 PolarHBondContact O-CE1 2.99Å; P246-H249 PolarHBondContact O-ND1 3.11Å; R247-H249 PolarHBondContact O-N 3.37Å
250F98.4Very high90.8Very high0 Ų026.2 Ų26.20%016%0.158CC..EExtended strand (participates in β ladder)trans-86.5123175.1-68.4-99.4000109.8F154 L174 L177 V184 V186 I366 F370 L415F154-F250 HydrophobicContact CZ-CE1 4.43Å; L174-F250 HydrophobicContact CD2-CE1 4.11Å; L174-F250 HydrophobicContact CD2-CZ 4.37Å; L177-F250 HydrophobicContact CB-CE1 4.14Å; L177-F250 HydrophobicContact CB-CZ 3.93Å; L177-F250 HydrophobicContact CD1-CE1 4.41Å; V184-F250 HydrophobicContact CB-CD1 3.65Å; V184-F250 HydrophobicContact CB-CE1 3.9Å; V184-F250 HydrophobicContact CB-CG 4.16Å; V184-F250 HydrophobicContact CG1-CD1 3.5Å; V184-F250 HydrophobicContact CG1-CE1 3.64Å; V184-F250 HydrophobicContact CG1-CG 4.46Å; V184-F250 HydrophobicContact CG2-CD1 4.23Å; V184-F250 HydrophobicContact CG2-CE1 4.01Å; V184-F250 HydrophobicContact CG2-CZ 4.29Å; V184-F250 CarbonylContact O-C 3.01Å; V184-F250 WeakPolarHBondContact O-CA 3.49Å; V186-F250 HydrophobicContact CG2-CB 4.45Å; V186-F250 HydrophobicContact CG2-CD1 4.03Å; F250-I366 HydrophobicContact CB-CD1 3.73Å; F250-I366 HydrophobicContact CB-CG1 4.31Å; F250-I366 HydrophobicContact CB-CG2 4.22Å; F250-F370 HydrophobicContact CB-CZ 3.98Å; F250-F370 AromaticContact CD1-CE1 3.93Å; F250-F370 HydrophobicContact CD1-CE1 3.93Å; F250-F370 AromaticContact CD1-CZ 3.67Å; F250-F370 HydrophobicContact CD1-CZ 3.67Å; F250-F370 HydrophobicContact CD2-CE2 4.36Å; F250-F370 AromaticContact CD2-CZ 3.82Å; F250-F370 HydrophobicContact CD2-CZ 3.82Å; F250-F370 HydrophobicContact CE1-CE1 4.03Å; F250-F370 HydrophobicContact CE1-CZ 4.04Å; F250-F370 HydrophobicContact CE2-CZ 4.19Å; F250-F370 HydrophobicContact CG-CE1 4.29Å; F250-F370 HydrophobicContact CG-CE2 4.44Å; F250-F370 AromaticContact CG-CZ 3.55Å; F250-F370 HydrophobicContact CG-CZ 3.55Å; F250-F370 HydrophobicContact CZ-CE1 4.47Å; F250-F370 HydrophobicContact CZ-CZ 4.29Å; F250-L415 HydrophobicContact CD2-CD1 4.5Å; F250-L415 HydrophobicContact CD2-CD2 4.25Å; F250-L415 HydrophobicContact CE2-CD1 4.23Å; F250-L415 HydrophobicContact CE2-CD2 3.65Å; F250-L415 HydrophobicContact CZ-CD2 4.12Å
251L98.1Very high89.4Confident0 Ų032 Ų320%018%0.182CC..EExtended strand (participates in β ladder)trans-111.5132.3-174.8-53.2-176000110.7C183 V184 V186 L242 L360 A361 N362C183-L251 WeakPolarHBondContact SG-CD1 3.29Å; V184-L251 PolarHBondContact O-N 2.81Å; V186-L251 PolarHBondContact N-O 2.81Å; L242-L251 HydrophobicContact CB-CD1 4.19Å; L242-L251 HydrophobicContact CB-CD2 4Å; L242-L251 HydrophobicContact CD1-CD1 3.74Å; L242-L251 HydrophobicContact CG-CD1 4.46Å; L251-L360 HydrophobicContact CD1-CB 4.43Å; L251-A361 CarbonylContact C-O 3.59Å; L251-A361 WeakPolarHBondContact CA-O 3.45Å; L251-N362 HydrophobicContact CD2-CB 3.77Å
252M96.9Very high87.7Confident3 Ų336 Ų362%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-89.7151.2164.762.5-176.158.500110.5M285 V287 T289 A361 H363 I366M252-M285 HydrophobicContact SD-SD 4.13Å; M252-V287 HydrophobicContact CB-CB 3.96Å; M252-V287 HydrophobicContact CB-CG2 3.51Å; M252-T289 HydrophobicContact CE-CG2 4.3Å; M252-A361 HydrophobicContact CG-CB 3.96Å; M252-A361 WeakPolarHBondContact CG-O 3.43Å; M252-A361 PolarHBondContact N-O 3.04Å; M252-A361 PolarHBondContact O-N 2.89Å; M252-H363 HydrophobicContact CE-CB 3.52Å; M252-H363 HydrophobicContact CG-CB 4.45Å; M252-H363 HydrophobicContact SD-CB 3.72Å; M252-I366 HydrophobicContact CB-CD1 4.47Å; M252-I366 HydrophobicContact CE-CB 4.21Å
253T97.2Very high85.9Confident1 Ų139.9 Ų39.91%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-113.9153.9-179.965.50000111.6V185 V217 M286 L359 L360V185-T253 HydrophobicContact CG1-CG2 3.35Å; V217-T253 HydrophobicContact CG1-CG2 3.87Å; T253-M286 PolarHBondContact O-N 3.12Å; T253-M286 WeakPolarHBondContact OG1-CB 3.46Å; T253-L359 CarbonylContact C-O 3.51Å; T253-L359 WeakPolarHBondContact CA-O 3.41Å; T253-L360 HydrophobicContact CG2-CD2 3.63Å
254G95.7Very high84Confident0 Ų044.4 Ų44.40%025%0.251CS..EExtended strand (participates in β ladder)trans-146.1144167.700000110.2L279 N284 L358 L359G254-L279 WeakPolarHBondContact O-CD2 3.38Å; G254-N284 WeakPolarHBondContact CA-O 3.42Å; G254-L358 CarbonylContact O-C 3.56Å; G254-L358 WeakPolarHBondContact O-CA 3.44Å; G254-L358 WeakPolarHBondContact O-CD1 3.36Å; G254-L359 PolarHBondContact N-O 3.36Å; G254-L359 PolarHBondContact O-N 3.44Å
255Y94.3Very high82.4Confident14 Ų1444.8 Ų44.86%0.05525%0.254CS..EExtended strand (participates in β ladder)trans-133.1141.2-179.1-167.2-86.8000110.7K216 A220 P257 L258 M286 G357 L358K216-Y255 HydrophobicContact CD-CD1 4.12Å; K216-Y255 HydrophobicContact CD-CE1 3.69Å; K216-Y255 VanDerWaalsContact CE-CZ 3.47Å; K216-Y255 WeakPolarHBondContact CE-OH 3.42Å; K216-Y255 HydrophobicContact CG-CE1 4.19Å; K216-Y255 HydrophobicContact CG-CE2 4.12Å; A220-Y255 HydrophobicContact CB-CD2 4.37Å; A220-Y255 HydrophobicContact CB-CE2 3.83Å; Y255-P257 WeakPolarHBondContact CE1-O 3.43Å; Y255-L258 HydrophobicContact CD1-CD2 3.9Å; Y255-L258 HydrophobicContact CD1-CG 4.45Å; Y255-M286 VanDerWaalsContact CB-CE 3.47Å; Y255-G357 WeakPolarHBondContact CA-O 3.38Å; Y255-L358 HydrophobicContact CD2-CB 4.19Å; Y255-L358 HydrophobicContact CD2-CD1 4.19Å
256T92.8Very high80.8Confident5 Ų548.9 Ų48.93%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-152.7145.4174.9-159.60000111.9V275 R278 L279 S356 G357T256-V275 HydrophobicContact CG2-CB 4.26Å; T256-V275 HydrophobicContact CG2-CG1 3.71Å; T256-R278 HydrophobicContact CG2-CB 4.04Å; T256-L279 HydrophobicContact CG2-CD2 3.79Å; T256-L279 HydrophobicContact CG2-CG 3.79Å; T256-S356 CarbonylContact O-C 3.58Å; T256-S356 WeakPolarHBondContact O-CA 3.49Å; T256-G357 PolarHBondContact N-O 3.25Å; T256-G357 PolarHBondContact O-N 2.9Å
257P89.1Confident79Confident12 Ų1251 Ų518%0.07828%0.282CS..  cis-72149.2-10.331.4-33.8000112.5Y255 T259 H353Y255-P257 WeakPolarHBondContact CE1-O 3.43Å; P257-T259 HydrophobicContact CB-CG2 4.35Å; P257-H353 HydrophobicContact CG-CB 3.99Å; P257-H353 VanDerWaalsContact CG-CD2 3.46Å; P257-H353 WeakPolarHBondContact CG-CD2 3.46Å; P257-H353 WeakPolarHBondContact CG-ND1 3.19Å
258L83.4Confident77.6Confident24 Ų2456.2 Ų56.213%0.12630%0.302CS..  trans-98.8121.5163.2-68.5169.8000106.1I195 L200 L213 Y255 M286I195-L258 HydrophobicContact CG2-CD1 3.56Å; L200-L258 HydrophobicContact CD2-CB 4.22Å; L213-L258 HydrophobicContact CD2-CD2 3.79Å; Y255-L258 HydrophobicContact CD1-CD2 3.9Å; Y255-L258 HydrophobicContact CD1-CG 4.45Å; L258-M286 HydrophobicContact CD1-CE 4.26Å; L258-M286 HydrophobicContact CD2-CE 3.99Å
259T77Confident76.3Confident43 Ų4366.5 Ų66.526%0.26434%0.34SS..  trans-138148.517853.80000108.4P257 H353P257-T259 HydrophobicContact CB-CG2 4.35Å; T259-H353 VanDerWaalsContact CG2-CE1 3.46Å; T259-H353 WeakPolarHBondContact CG2-CE1 3.28Å; T259-H353 VanDerWaalsContact CG2-NE2 3.3Å; T259-H353 WeakPolarHBondContact CG2-NE2 3.42Å; T259-H353 PolarHBondContact OG1-NE2 3.16Å
260T68.1Low75.7Confident30 Ų3067.1 Ų67.118%0.18434%0.344CS..  trans-81.6159.9165.158.10000109.9L200 T262 E263L200-T260 HydrophobicContact CB-CG2 3.75Å; L200-T260 HydrophobicContact CD2-CG2 3.9Å; L200-T260 HydrophobicContact CG-CG2 4.35Å; L200-T260 VanDerWaalsContact O-CG2 3.29Å; L200-T260 WeakPolarHBondContact O-CG2 3.38Å; T260-T262 PolarHBondContact O-N 3.48Å; T260-T262 PolarHBondContact OG1-OG1 3.02Å; T260-E263 PolarHBondContact O-N 3.13Å; T260-E263 PolarHBondContact OG1-N 3.2Å
261D61.9Low75.3Confident173 Ų17369.8 Ų69.893%0.92536%0.361SS*.THydrogen-bonded Turntrans-64.1-19.9173.7-60.2-35000112.4
262T55.7Low75Confident123 Ų12369.8 Ų69.876%0.75536%0.361SS*.THydrogen-bonded Turntrans-87.7-17.1-176.850.60000114.3T260 V264T260-T262 PolarHBondContact O-N 3.48Å; T260-T262 PolarHBondContact OG1-OG1 3.02Å; T262-V264 PolarHBondContact O-N 2.69Å; T262-V264 VanDerWaalsContact O-N 3.11Å
263E55.1Low74.9Confident86 Ų8670.7 Ų70.740%0.40237%0.365SS..SBendtrans-69.2111.1176.3-84.4-177.3172.600109.4T260 P265T260-E263 PolarHBondContact O-N 3.13Å; T260-E263 PolarHBondContact OG1-N 3.2Å; E263-P265 WeakPolarHBondContact O-CD 3.33Å
264V52.8Low74.6Confident123 Ų12372 Ų7275%0.74537%0.372SS*.  trans-49.7120.1164.5-177.60000106.1T262 T266T262-V264 PolarHBondContact O-N 2.69Å; T262-V264 VanDerWaalsContact O-N 3.11Å; V264-T266 VanDerWaalsContact C-N 3.29Å; V264-T266 PolarHBondContact O-N 3.12Å
265P54.1Low74.6Confident76 Ų7672 Ų7249%0.49437%0.372SS..  trans-63.398.5-176.522.6-30.3000106.9E263 I267 P352E263-P265 WeakPolarHBondContact O-CD 3.33Å; P265-I267 WeakPolarHBondContact O-CG1 3.41Å; P265-I267 PolarHBondContact O-N 3.03Å; P265-P352 HydrophobicContact CB-CB 4.26Å
266T54.5Low74.6Confident115 Ų11571.3 Ų71.371%0.70637%0.369SS*.  trans-6596.1163.837.40000104.1V264 R268V264-T266 VanDerWaalsContact C-N 3.29Å; V264-T266 PolarHBondContact O-N 3.12Å; T266-R268 VanDerWaalsContact C-N 3.25Å; T266-R268 PolarHBondContact O-N 3.24Å
267I50.7Low74.7Confident162 Ų16275.3 Ų75.383%0.83138%0.384SS*.  trans-56.791.1-173.6-58.2173.8000107.8P265P265-I267 WeakPolarHBondContact O-CG1 3.41Å; P265-I267 PolarHBondContact O-N 3.03Å
268R61.4Low74.9Confident187 Ų18777.5 Ų77.571%0.70639%0.39SS*.  trans-100.5117.5167.3-72.4-176.5177.21740.8105.4T266 T270T266-R268 VanDerWaalsContact C-N 3.25Å; T266-R268 PolarHBondContact O-N 3.24Å; R268-T270 VanDerWaalsContact C-N 3.34Å; R268-T270 PolarHBondContact O-N 2.87Å; R268-T270 PolarHBondContact O-OG1 3.04Å
269R68.6Low75.5Confident216 Ų21676.4 Ų76.482%0.81538%0.384SS*.  trans-51.9106164.2-78.3-171.8-179.9-175.10.7106.9
270T83.5Confident76.3Confident16 Ų1675.1 Ų75.110%0.09838%0.376CS..  trans-94105.9178.5-65.70000106.2R268 D274 V275R268-T270 VanDerWaalsContact C-N 3.34Å; R268-T270 PolarHBondContact O-N 2.87Å; R268-T270 PolarHBondContact O-OG1 3.04Å; T270-D274 HydrophobicContact CG2-CB 4.5Å; T270-V275 HydrophobicContact CG2-CG2 3.48Å; T270-V275 VanDerWaalsContact CG2-CG2 3.48Å
271T89.7Confident77.4Confident57 Ų5776.3 Ų76.335%0.3538%0.38SS..  trans-80.6161-179.866.70000110.8F273 D274 V275T271-F273 PolarHBondContact O-N 3.46Å; T271-D274 PolarHBondContact N-OD2 2.96Å; T271-D274 WeakPolarHBondContact O-CB 3.44Å; T271-D274 PolarHBondContact O-N 3.39Å; T271-D274 PolarHBondContact OG1-N 3.18Å; T271-D274 VanDerWaalsContact OG1-N 3.09Å; T271-D274 PolarHBondContact OG1-OD2 2.88Å; T271-V275 PolarHBondContact O-N 2.72Å
272V92.6Very high78.7Confident0 Ų073.2 Ų73.20%037%0.369CS..Hα-helixtrans-52.9-44.1171.9177.90000110.8D274 V275 M276 V310 E314 V315V272-D274 VanDerWaalsContact C-N 3.34Å; V272-D274 PolarHBondContact O-N 3Å; V272-V275 PolarHBondContact O-N 3.48Å; V272-M276 HydrophobicContact CG1-CG 4.31Å; V272-M276 HydrophobicContact CG1-SD 3.77Å; V272-M276 WeakPolarHBondContact O-CG 3.35Å; V272-M276 PolarHBondContact O-N 2.76Å; V272-V310 HydrophobicContact CG2-CB 4.4Å; V272-V310 HydrophobicContact CG2-CG1 3.73Å; V272-V310 HydrophobicContact CG2-CG2 4.17Å; V272-E314 HydrophobicContact CB-CB 4.27Å; V272-E314 HydrophobicContact CG2-CB 4.11Å; V272-E314 WeakPolarHBondContact CG2-OE2 3.44Å; V272-V315 HydrophobicContact CG1-CG2 3.99Å
273F93.7Very high80.1Confident21 Ų2173 Ų739%0.09236%0.357CS..Hα-helixtrans-61.4-40.5176.9-179-110.3000112.5T271 R277 S318 R321 I322 M327T271-F273 PolarHBondContact O-N 3.46Å; F273-R277 WeakPolarHBondContact O-CB 3.37Å; F273-R277 PolarHBondContact O-N 2.91Å; F273-S318 WeakPolarHBondContact CA-OG 3.5Å; F273-S318 WeakPolarHBondContact CB-OG 3.47Å; F273-S318 PolarHBondContact N-OG 3.33Å; F273-R321 HydrophobicContact CD2-CB 4.27Å; F273-R321 HydrophobicContact CE2-CB 3.63Å; F273-R321 HydrophobicContact CZ-CB 4.28Å; F273-I322 HydrophobicContact CE2-CG1 4.28Å; F273-M327 HydrophobicContact CE2-CE 4.21Å; F273-M327 HydrophobicContact CZ-CE 3.75Å
274D92.5Very high81.7Confident28 Ų2869 Ų6915%0.1534%0.339CS..Hα-helixtrans-63.5-42.7176.9-72.2-52.4000112.1T270 T271 V272 R277 R278T270-D274 HydrophobicContact CG2-CB 4.5Å; T271-D274 PolarHBondContact N-OD2 2.96Å; T271-D274 WeakPolarHBondContact O-CB 3.44Å; T271-D274 PolarHBondContact O-N 3.39Å; T271-D274 PolarHBondContact OG1-N 3.18Å; T271-D274 VanDerWaalsContact OG1-N 3.09Å; T271-D274 PolarHBondContact OG1-OD2 2.88Å; V272-D274 VanDerWaalsContact C-N 3.34Å; V272-D274 PolarHBondContact O-N 3Å; D274-R277 IonicContact OD1-CZ 3.7Å; D274-R277 IonicContact OD1-NH2 2.74Å; D274-R277 PolarHBondContact OD1-NH2 3.42Å; D274-R278 VanDerWaalsContact O-CB 3.27Å; D274-R278 WeakPolarHBondContact O-CB 3.32Å; D274-R278 WeakPolarHBondContact O-CD 3.4Å; D274-R278 WeakPolarHBondContact O-CG 3.47Å; D274-R278 PolarHBondContact O-N 3.1Å
275V94.1Very high83.6Confident0 Ų063.7 Ų63.70%031%0.306CS..Hα-helixtrans-61.5-57.2175.9174.70000109.9T256 T270 T271 V272 R277 R278 L279 I306 V355T256-V275 HydrophobicContact CG2-CB 4.26Å; T256-V275 HydrophobicContact CG2-CG1 3.71Å; T270-V275 HydrophobicContact CG2-CG2 3.48Å; T270-V275 VanDerWaalsContact CG2-CG2 3.48Å; T271-V275 PolarHBondContact O-N 2.72Å; V272-V275 PolarHBondContact O-N 3.48Å; V275-R277 VanDerWaalsContact C-N 3.3Å; V275-R277 PolarHBondContact O-N 3.28Å; V275-R278 PolarHBondContact O-N 3.33Å; V275-R278 VanDerWaalsContact O-N 3.09Å; V275-L279 HydrophobicContact CG1-CD1 3.93Å; V275-L279 HydrophobicContact CG1-CG 4.38Å; V275-L279 WeakPolarHBondContact O-CG 3.3Å; V275-L279 PolarHBondContact O-N 3.29Å; V275-I306 HydrophobicContact CG1-CD1 3.71Å; V275-V355 HydrophobicContact CG2-CB 4.23Å; V275-V355 HydrophobicContact CG2-CG1 3.91Å
276M95.1Very high85.5Confident0 Ų060.1 Ų60.10%028%0.283CS..Hα-helixtrans-59.8-40.3-177.5-65177.374.100112.2V272 L279 L280 I306 S318 L319 I322 V340V272-M276 HydrophobicContact CG1-CG 4.31Å; V272-M276 HydrophobicContact CG1-SD 3.77Å; V272-M276 WeakPolarHBondContact O-CG 3.35Å; V272-M276 PolarHBondContact O-N 2.76Å; M276-L279 PolarHBondContact O-N 2.92Å; M276-L280 PolarHBondContact O-N 2.75Å; M276-I306 HydrophobicContact CG-CD1 4.12Å; M276-S318 VanDerWaalsContact SD-CB 3.55Å; M276-L319 HydrophobicContact CE-CD2 3.52Å; M276-L319 HydrophobicContact CE-CG 3.87Å; M276-I322 HydrophobicContact CB-CD1 3.77Å; M276-I322 HydrophobicContact CE-CD1 4.05Å; M276-V340 HydrophobicContact CE-CG2 3.72Å
277R94.6Very high87.3Confident89 Ų8954.8 Ų54.834%0.33625%0.25SS..Hα-helixtrans-64.9-43.1175.4178-178.362.6153.4-6112F273 D274 V275 L279 L280 M327F273-R277 WeakPolarHBondContact O-CB 3.37Å; F273-R277 PolarHBondContact O-N 2.91Å; D274-R277 IonicContact OD1-CZ 3.7Å; D274-R277 IonicContact OD1-NH2 2.74Å; D274-R277 PolarHBondContact OD1-NH2 3.42Å; V275-R277 VanDerWaalsContact C-N 3.3Å; V275-R277 PolarHBondContact O-N 3.28Å; R277-L279 VanDerWaalsContact C-N 3.33Å; R277-L280 PolarHBondContact O-N 3.16Å; R277-M327 HydrophobicContact CG-SD 4.04Å
278R94.1Very high89.2Confident59 Ų5947.4 Ų47.422%0.22321%0.212CC..Hα-helixtrans-65.9-38.4178.1-77171.2-169.1174.48.2110.9T256 D274 V275 L280 Q281 N284T256-R278 HydrophobicContact CG2-CB 4.04Å; D274-R278 VanDerWaalsContact O-CB 3.27Å; D274-R278 WeakPolarHBondContact O-CB 3.32Å; D274-R278 WeakPolarHBondContact O-CD 3.4Å; D274-R278 WeakPolarHBondContact O-CG 3.47Å; D274-R278 PolarHBondContact O-N 3.1Å; V275-R278 PolarHBondContact O-N 3.33Å; V275-R278 VanDerWaalsContact O-N 3.09Å; R278-L280 PolarHBondContact O-N 3Å; R278-Q281 WeakPolarHBondContact O-CB 3.17Å; R278-Q281 PolarHBondContact O-N 3.28Å; R278-N284 PolarHBondContact O-ND2 2.95Å
279L95.6Very high90.3Very high0 Ų040.4 Ų40.40%019%0.191CC..Hα-helixtrans-60.7-24.5176.2-71.7174.7000112.8G254 T256 V275 M276 R277 Q281 M285 N304 I306 L359G254-L279 WeakPolarHBondContact O-CD2 3.38Å; T256-L279 HydrophobicContact CG2-CD2 3.79Å; T256-L279 HydrophobicContact CG2-CG 3.79Å; V275-L279 HydrophobicContact CG1-CD1 3.93Å; V275-L279 HydrophobicContact CG1-CG 4.38Å; V275-L279 WeakPolarHBondContact O-CG 3.3Å; V275-L279 PolarHBondContact O-N 3.29Å; M276-L279 PolarHBondContact O-N 2.92Å; R277-L279 VanDerWaalsContact C-N 3.33Å; L279-Q281 VanDerWaalsContact C-N 3.32Å; L279-M285 WeakPolarHBondContact O-CE 3.15Å; L279-N304 WeakPolarHBondContact CD1-OD1 3.33Å; L279-I306 HydrophobicContact CD1-CD1 4.21Å; L279-L359 HydrophobicContact CB-CB 3.99Å; L279-L359 HydrophobicContact CB-CD1 4.11Å; L279-L359 HydrophobicContact CD1-CB 4.2Å; L279-L359 HydrophobicContact CD2-CB 3.95Å; L279-L359 HydrophobicContact CG-CB 4.25Å; L279-L359 WeakPolarHBondContact O-CD1 3.18Å
280L94.4Very high90.9Very high16 Ų1633.3 Ų33.38%0.08417%0.173CC..THydrogen-bonded Turntrans-84.8-1.1174.1-61.3176.1000114.1M276 R277 R278 I302 I322 M327 A328 L359M276-L280 PolarHBondContact O-N 2.75Å; R277-L280 PolarHBondContact O-N 3.16Å; R278-L280 PolarHBondContact O-N 3Å; L280-I302 HydrophobicContact CD2-CD1 3.49Å; L280-I302 VanDerWaalsContact CD2-CD1 3.49Å; L280-I322 HydrophobicContact CD1-CD1 4.2Å; L280-I322 HydrophobicContact CD1-CG1 4.36Å; L280-I322 HydrophobicContact CD1-CG2 3.75Å; L280-M327 HydrophobicContact CD1-CB 4.1Å; L280-A328 HydrophobicContact CD1-CB 4.26Å; L280-A328 HydrophobicContact CD2-CB 4.24Å; L280-L359 HydrophobicContact CD2-CD1 4.17Å
281Q91.1Very high90.7Very high56 Ų5639.2 Ų39.226%0.26221%0.209SC..SBendtrans-90.2131.9-177.2-64.8174.6-7.400110.8R278 L279 K283 N284R278-Q281 WeakPolarHBondContact O-CB 3.17Å; R278-Q281 PolarHBondContact O-N 3.28Å; L279-Q281 VanDerWaalsContact C-N 3.32Å; Q281-K283 HydrophobicContact CB-CG 4.18Å; Q281-K283 PolarHBondContact O-N 2.9Å; Q281-N284 PolarHBondContact O-N 3.13Å
282P88.3Confident90.3Very high107 Ų10739.4 Ų39.470%0.69521%0.206SC*.G310 helixtrans-52.3-34.7-179-30.135.4000114.6N284 M285P282-N284 PolarHBondContact O-N 3.48Å; P282-N284 VanDerWaalsContact O-N 3.15Å; P282-M285 WeakPolarHBondContact O-CB 3.31Å; P282-M285 PolarHBondContact O-N 3.1Å
283K85.2Confident89.8Confident119 Ų11951.4 Ų51.452%0.51725%0.251SS..G310 helixtrans-66.3-11178.868.7178.9176.5-175.20115.5Q281Q281-K283 HydrophobicContact CB-CG 4.18Å; Q281-K283 PolarHBondContact O-N 2.9Å
284N88.4Confident89.4Confident3 Ų354.5 Ų54.52%0.01629%0.289CS..G310 helixtrans-1082.2175-57.8-52.9000111.9R199 G254 R278 Q281 P282R199-N284 PolarHBondContact NH2-OD1 3.34Å; G254-N284 WeakPolarHBondContact CA-O 3.42Å; R278-N284 PolarHBondContact O-ND2 2.95Å; Q281-N284 PolarHBondContact O-N 3.13Å; P282-N284 PolarHBondContact O-N 3.48Å; P282-N284 VanDerWaalsContact O-N 3.15Å
285M93Very high89.1Confident11 Ų1155.7 Ų55.75%0.05430%0.297CS..BIsolated β-bridgetrans-79.4133.2173-61.3-64.99300109.9M252 L279 P282 V287 L359M252-M285 HydrophobicContact SD-SD 4.13Å; L279-M285 WeakPolarHBondContact O-CE 3.15Å; P282-M285 WeakPolarHBondContact O-CB 3.31Å; P282-M285 PolarHBondContact O-N 3.1Å; M285-V287 PolarHBondContact O-N 3.25Å; M285-L359 HydrophobicContact CE-CD1 4.5Å; M285-L359 HydrophobicContact CE-CD2 3.95Å; M285-L359 HydrophobicContact SD-CD2 3.99Å
286M93.9Very high89Confident1 Ų159.4 Ų59.41%0.00532%0.323CS..SBendtrans-91.823.5177.4-57.3-175.8167.100112A191 L192 I195 V217 T253 Y255 L258A191-M286 WeakPolarHBondContact CB-O 3.45Å; L192-M286 HydrophobicContact CD2-CB 4.28Å; L192-M286 HydrophobicContact CD2-CG 4.49Å; L192-M286 HydrophobicContact CD2-SD 4.22Å; I195-M286 HydrophobicContact CD1-CB 4.2Å; I195-M286 HydrophobicContact CD1-CG 3.65Å; V217-M286 HydrophobicContact CG2-CE 3.9Å; V217-M286 HydrophobicContact CG2-SD 3.32Å; V217-M286 WeakPolarHBondContact CG2-SD 3.47Å; T253-M286 PolarHBondContact O-N 3.12Å; T253-M286 WeakPolarHBondContact OG1-CB 3.46Å; Y255-M286 VanDerWaalsContact CB-CE 3.47Å; L258-M286 HydrophobicContact CD1-CE 4.26Å; L258-M286 HydrophobicContact CD2-CE 3.99Å
287V93.8Very high89Confident3 Ų360.7 Ų60.72%0.01833%0.329CS..SBendtrans-134.6128.2174.3-172.70000109.4V186 D188 M252 M285 T289 L369V186-V287 HydrophobicContact CB-CG2 4.36Å; V186-V287 HydrophobicContact CG1-CG1 4.34Å; V186-V287 HydrophobicContact CG1-CG2 4.1Å; D188-V287 HydrophobicContact CB-CB 4.5Å; D188-V287 HydrophobicContact CB-CG1 4.26Å; D188-V287 HydrophobicContact CB-CG2 4.5Å; M252-V287 HydrophobicContact CB-CB 3.96Å; M252-V287 HydrophobicContact CB-CG2 3.51Å; M285-V287 PolarHBondContact O-N 3.25Å; V287-T289 HydrophobicContact CG1-CG2 3.82Å; V287-T289 PolarHBondContact O-N 3.42Å; V287-L369 HydrophobicContact CG1-CD1 3.61Å; V287-L369 HydrophobicContact CG1-CG 4.26Å
288S89Confident89Confident6 Ų656.6 Ų56.64%0.04231%0.314CS..  trans-84.194.8-178.3-166.20000109.1D188 R194 R372D188-S288 WeakPolarHBondContact OD2-CA 3.41Å; D188-S288 WeakPolarHBondContact OD2-CB 3.35Å; D188-S288 PolarHBondContact OD2-N 3.31Å; R194-S288 PolarHBondContact NH1-OG 2.97Å; S288-R372 PolarHBondContact O-NH2 3.01Å
289T85.8Confident89.1Confident40 Ų4054.8 Ų54.825%0.24531%0.307CS..  trans-116.789176.561.60000110.1M252 V287 S365M252-T289 HydrophobicContact CE-CG2 4.3Å; V287-T289 HydrophobicContact CG1-CG2 3.82Å; V287-T289 PolarHBondContact O-N 3.42Å; T289-S365 VanDerWaalsContact CB-OG 3.24Å; T289-S365 WeakPolarHBondContact CB-OG 3.36Å; T289-S365 VanDerWaalsContact CG2-O 3.26Å; T289-S365 WeakPolarHBondContact CG2-O 3.36Å; T289-S365 WeakPolarHBondContact CG2-OG 3.48Å; T289-S365 PolarHBondContact OG1-OG 3Å
290P81.2Confident89.1Confident68 Ų6855 Ų5544%0.44231%0.308SS..PPolyproline II helixtrans-64.6147.1178.829.3-32.1000109.4Q292P290-Q292 PolarHBondContact O-N 3.27Å
291T79.1Confident89.2Confident139 Ų13954.4 Ų54.485%0.85331%0.306SS*.PPolyproline II helixtrans-62.3121178.6520000110.5
292Q81.1Confident89.5Confident61 Ų6151.8 Ų51.829%0.28529%0.294SS..PPolyproline II helixtrans-84.4130.7171.8-65.6-171.6-57.800110.3P290 G294 V295 H297 T368P290-Q292 PolarHBondContact O-N 3.27Å; Q292-G294 PolarHBondContact O-N 2.75Å; Q292-V295 HydrophobicContact CB-CB 4.05Å; Q292-V295 HydrophobicContact CB-CG2 4.05Å; Q292-V295 PolarHBondContact O-N 2.77Å; Q292-H297 PolarHBondContact OE1-CE1 2.92Å; Q292-H297 VanDerWaalsContact OE1-CE1 3.31Å; Q292-H297 PolarHBondContact OE1-NE2 3.46Å; Q292-H297 VanDerWaalsContact OE1-NE2 3.09Å; Q292-T368 HydrophobicContact CG-CG2 3.7Å
293R81.7Confident89.9Confident252 Ų25246.8 Ų46.895%0.95126%0.261SS*.THydrogen-bonded Turntrans-62.6131.6176.7-69-176.4-177.8-178.71.2109.8V295R293-V295 PolarHBondContact O-N 3.2Å
294G84.9Confident90.3Very high86 Ų8641.2 Ų41.289%0.88724%0.237SC*.THydrogen-bonded Turntrans78.7-3.4176.800000115.4Q292Q292-G294 PolarHBondContact O-N 2.75Å
295V87.2Confident90.6Very high53 Ų5341.1 Ų41.132%0.32124%0.236SC..  trans-107.6119.6176.9-173.10000109.5Q292 R293 H297Q292-V295 HydrophobicContact CB-CB 4.05Å; Q292-V295 HydrophobicContact CB-CG2 4.05Å; Q292-V295 PolarHBondContact O-N 2.77Å; R293-V295 PolarHBondContact O-N 3.2Å; V295-H297 VanDerWaalsContact CG1-CE1 3.47Å; V295-H297 WeakPolarHBondContact CG1-CE1 3.42Å; V295-H297 PolarHBondContact O-N 2.92Å
296S91.1Very high90.7Very high78 Ų7840.6 Ų40.655%0.54523%0.234SC..  trans-90.378.4174.7-63.40000109.8
297H94.8Very high90.5Very high28 Ų2841.4 Ų41.413%0.1324%0.237CC..  trans-60143174.8-64.3-64.1000111Q292 V295 T364 S365Q292-H297 PolarHBondContact OE1-CE1 2.92Å; Q292-H297 VanDerWaalsContact OE1-CE1 3.31Å; Q292-H297 PolarHBondContact OE1-NE2 3.46Å; Q292-H297 VanDerWaalsContact OE1-NE2 3.09Å; V295-H297 VanDerWaalsContact CG1-CE1 3.47Å; V295-H297 WeakPolarHBondContact CG1-CE1 3.42Å; V295-H297 PolarHBondContact O-N 2.92Å; H297-T364 WeakPolarHBondContact CA-OG1 3.42Å; H297-T364 PolarHBondContact ND1-O 2.9Å; H297-S365 WeakPolarHBondContact ND1-CA 3.14Å; H297-S365 PolarHBondContact ND1-N 2.67Å
298C95.3Very high90.2Very high2 Ų242.4 Ų42.41%0.01425%0.248CC..  trans-141.3160.6-178.2540000111.9Q329 H363 T364C298-Q329 CarbonylContact C-O 3.53Å; C298-Q329 WeakPolarHBondContact CA-O 3.49Å; C298-Q329 HydrophobicContact CB-CB 4.46Å; C298-Q329 HydrophobicContact CB-CG 4Å; C298-Q329 WeakPolarHBondContact CB-O 3.47Å; C298-H363 PolarHBondContact O-CD2 2.83Å; C298-H363 VanDerWaalsContact O-CD2 3.28Å; C298-T364 PolarHBondContact N-OG1 3.24Å; C298-T364 PolarHBondContact O-N 3.3Å; C298-T364 PolarHBondContact O-OG1 3.49Å
299Y96.4Very high89.8Confident21 Ų2149.5 Ų49.58%0.08228%0.28CS..EExtended strand (participates in β ladder)trans-74129171.3-71.6-80.7000110.2I302 A328 Q329 F330 I331 A361 H363Y299-I302 HydrophobicContact CD1-CD1 3.48Å; Y299-I302 VanDerWaalsContact CD1-CD1 3.48Å; Y299-I302 HydrophobicContact CD1-CG1 3.49Å; Y299-I302 VanDerWaalsContact CD1-CG1 3.49Å; Y299-I302 HydrophobicContact CD2-CD1 4.2Å; Y299-I302 HydrophobicContact CE1-CD1 3.73Å; Y299-I302 HydrophobicContact CE1-CG1 4.03Å; Y299-I302 HydrophobicContact CE2-CD1 4.4Å; Y299-I302 HydrophobicContact CG-CD1 3.74Å; Y299-I302 HydrophobicContact CG-CG1 4.01Å; Y299-A328 HydrophobicContact CD2-CB 3.8Å; Y299-A328 HydrophobicContact CE2-CB 3.9Å; Y299-Q329 PolarHBondContact N-O 3.44Å; Y299-F330 HydrophobicContact CG-CE1 4.47Å; Y299-F330 CarbonylContact O-C 3.55Å; Y299-F330 WeakPolarHBondContact O-CA 3.27Å; Y299-I331 PolarHBondContact O-N 2.85Å; Y299-A361 HydrophobicContact CD1-CB 3.88Å; Y299-A361 HydrophobicContact CE1-CB 3.73Å; Y299-H363 HydrophobicContact CD1-CB 3.97Å; Y299-H363 AromaticContact CD1-CD2 3.52Å; Y299-H363 AromaticContact CD2-CD2 3.67Å; Y299-H363 HydrophobicContact CE1-CB 4.2Å; Y299-H363 AromaticContact CE1-CD2 3.68Å; Y299-H363 AromaticContact CE2-CD2 3.83Å; Y299-H363 AromaticContact CG-CD2 3.51Å; Y299-H363 AromaticContact CZ-CD2 3.84Å; Y299-H363 PolarHBondContact N-CD2 2.86Å; Y299-H363 VanDerWaalsContact N-CD2 3.31Å
300V96.4Very high89.8Confident4 Ų449 Ų492%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-80.8-48.1167.1179.50000108.7P244 L248 I331 W333 N362 T364P244-V300 HydrophobicContact CG-CG1 3.37Å; L248-V300 HydrophobicContact CD1-CG2 4.49Å; V300-I331 HydrophobicContact CB-CG2 4.31Å; V300-I331 HydrophobicContact CG1-CD1 4.16Å; V300-I331 HydrophobicContact CG2-CG2 3.85Å; V300-W333 HydrophobicContact CG1-CH2 4.43Å; V300-N362 HydrophobicContact CB-CB 3.94Å; V300-N362 WeakPolarHBondContact CB-O 3.46Å; V300-N362 HydrophobicContact CG1-CB 4.44Å; V300-N362 PolarHBondContact N-O 3.44Å; V300-T364 HydrophobicContact CG2-CG2 4.06Å
301S96.3Very high90.1Very high4 Ų449.5 Ų49.53%0.02828%0.276CS..EExtended strand (participates in β ladder)trans-158.4156.2-179.858.90000110.9P241 L242 A361 N362P241-S301 WeakPolarHBondContact O-CB 3.42Å; L242-S301 VanDerWaalsContact CA-OG 3.29Å; L242-S301 WeakPolarHBondContact CA-OG 3.35Å; L242-S301 PolarHBondContact O-OG 2.96Å; S301-A361 WeakPolarHBondContact O-CA 3.25Å; S301-N362 PolarHBondContact N-O 3.3Å; S301-N362 PolarHBondContact O-N 2.99Å; S301-N362 VanDerWaalsContact OG-CB 3.31Å; S301-N362 WeakPolarHBondContact OG-CB 3.43Å
302I96.7Very high90.6Very high2 Ų247 Ų471%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-135.6133.9175.9-59.5-178.6000109L280 Y299 F330 S337 I338 Q339 L359 A361L280-I302 HydrophobicContact CD2-CD1 3.49Å; L280-I302 VanDerWaalsContact CD2-CD1 3.49Å; Y299-I302 HydrophobicContact CD1-CD1 3.48Å; Y299-I302 VanDerWaalsContact CD1-CD1 3.48Å; Y299-I302 HydrophobicContact CD1-CG1 3.49Å; Y299-I302 VanDerWaalsContact CD1-CG1 3.49Å; Y299-I302 HydrophobicContact CD2-CD1 4.2Å; Y299-I302 HydrophobicContact CE1-CD1 3.73Å; Y299-I302 HydrophobicContact CE1-CG1 4.03Å; Y299-I302 HydrophobicContact CE2-CD1 4.4Å; Y299-I302 HydrophobicContact CG-CD1 3.74Å; Y299-I302 HydrophobicContact CG-CG1 4.01Å; I302-F330 HydrophobicContact CD1-CE1 4.15Å; I302-F330 HydrophobicContact CD1-CZ 3.76Å; I302-F330 HydrophobicContact CG1-CE1 4.13Å; I302-F330 HydrophobicContact CG1-CZ 4.24Å; I302-S337 PolarHBondContact N-O 2.92Å; I302-I338 HydrophobicContact CB-CG1 4.35Å; I302-I338 HydrophobicContact CB-CG2 4.44Å; I302-I338 HydrophobicContact CD1-CG1 4.35Å; I302-I338 HydrophobicContact CG2-CG2 4.27Å; I302-I338 WeakPolarHBondContact O-CA 3.38Å; I302-Q339 PolarHBondContact O-N 3.33Å; I302-L359 HydrophobicContact CD1-CD1 4.44Å; I302-L359 HydrophobicContact CG2-CD1 3.68Å; I302-L359 HydrophobicContact CG2-CG 4.02Å; I302-A361 HydrophobicContact CG1-CB 4.16Å
303L95.7Very high91.1Very high1 Ų147.4 Ų47.41%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-116118.6163.6175.963.3000109L238 L242 I305 Q339 A341 L359 L360L238-L303 HydrophobicContact CD2-CD2 3.78Å; L242-L303 HydrophobicContact CD1-CB 4Å; L242-L303 HydrophobicContact CD1-CD2 3.99Å; L242-L303 HydrophobicContact CD2-CB 3.7Å; L242-L303 HydrophobicContact CG-CB 4.11Å; L303-I305 HydrophobicContact CD2-CD1 4.42Å; L303-I305 HydrophobicContact CD2-CG1 4.26Å; L303-I305 HydrophobicContact CG-CG1 4.18Å; L303-Q339 HydrophobicContact CD1-CB 3.82Å; L303-A341 HydrophobicContact CD1-CB 4.17Å; L303-L359 WeakPolarHBondContact O-CA 3.48Å; L303-L360 HydrophobicContact CB-CB 4.4Å; L303-L360 HydrophobicContact CD2-CD1 4.42Å; L303-L360 PolarHBondContact N-O 3.35Å; L303-L360 PolarHBondContact O-N 3.43Å
304N95.4Very high91.6Very high2 Ų239.5 Ų39.51%0.01124%0.243CC..EExtended strand (participates in β ladder)trans-98118.2168.9-74-37.6000109.4L279 I306 Q339 V340 A341 L358L279-N304 WeakPolarHBondContact CD1-OD1 3.33Å; N304-I306 HydrophobicContact CB-CD1 4.04Å; N304-I306 HydrophobicContact CB-CG1 4.29Å; N304-Q339 PolarHBondContact N-O 3.38Å; N304-V340 HydrophobicContact CB-CG2 4.4Å; N304-V340 CarbonylContact O-C 3.59Å; N304-V340 VanDerWaalsContact O-CA 3.3Å; N304-V340 WeakPolarHBondContact O-CA 3.32Å; N304-A341 PolarHBondContact O-N 3.23Å; N304-L358 CarbonylContact C-O 3.49Å; N304-L358 VanDerWaalsContact CA-O 3.29Å; N304-L358 WeakPolarHBondContact CA-O 3.35Å
305I94.7Very high92Very high1 Ų136 Ų361%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-95.5106.7167.9-56.3178.7000107T224 L303 A341 G357 L358T224-I305 HydrophobicContact CG2-CG2 4.11Å; L303-I305 HydrophobicContact CD2-CD1 4.42Å; L303-I305 HydrophobicContact CD2-CG1 4.26Å; L303-I305 HydrophobicContact CG-CG1 4.18Å; I305-A341 WeakPolarHBondContact CA-O 3.3Å; I305-A341 HydrophobicContact CG1-CB 4.21Å; I305-G357 CarbonylContact O-C 3.53Å; I305-G357 VanDerWaalsContact O-CA 3.22Å; I305-G357 WeakPolarHBondContact O-CA 3.27Å; I305-L358 HydrophobicContact CB-CB 4.4Å; I305-L358 HydrophobicContact CD1-CD2 4.34Å; I305-L358 PolarHBondContact N-O 3.48Å; I305-L358 PolarHBondContact O-N 3.41Å
306I93.7Very high92.2Very high1 Ų138.8 Ų38.81%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-101.3130.5-179.2-50.4-63.4000108.8V275 M276 L279 N304 V310 V340 A341 L342 S343 V355V275-I306 HydrophobicContact CG1-CD1 3.71Å; M276-I306 HydrophobicContact CG-CD1 4.12Å; L279-I306 HydrophobicContact CD1-CD1 4.21Å; N304-I306 HydrophobicContact CB-CD1 4.04Å; N304-I306 HydrophobicContact CB-CG1 4.29Å; I306-V310 HydrophobicContact CG2-CG2 3.72Å; I306-V340 HydrophobicContact CG1-CG1 3.86Å; I306-A341 PolarHBondContact N-O 2.81Å; I306-L342 HydrophobicContact CB-CD2 3.99Å; I306-S343 PolarHBondContact O-N 3.13Å; I306-V355 HydrophobicContact CG2-CG1 3.53Å
307Q90.7Very high92.4Very high18 Ų1840.2 Ų40.28%0.08421%0.21CC..EExtended strand (participates in β ladder)trans-118.5135.4-176.3-75.2174.4-31.700111S343 R345 V355 S356Q307-S343 WeakPolarHBondContact CA-O 3.43Å; Q307-R345 HydrophobicContact CB-CG 4.07Å; Q307-R345 PolarHBondContact O-NE 3.14Å; Q307-R345 PolarHBondContact O-NH2 3.49Å; Q307-V355 WeakPolarHBondContact O-CA 3.08Å; Q307-S356 PolarHBondContact N-O 2.78Å; Q307-S356 PolarHBondContact O-N 3.39Å
308G86.9Confident92.5Very high23 Ų2339.1 Ų39.124%0.23721%0.205CC..EExtended strand (participates in β ladder)trans126.5-161.217400000113.4V310 R354G308-V310 PolarHBondContact O-N 3.3Å; G308-V310 VanDerWaalsContact O-N 3.1Å; G308-R354 WeakPolarHBondContact CA-O 3.27Å
309E81.1Confident92.4Very high155 Ų15540.4 Ų40.472%0.72421%0.212SC*.SBendtrans-74.995.6175.6-67.6176.2-176.500109.6R354E309-R354 PolarHBondContact N-O 2.99Å
310V86.1Confident92.3Very high29 Ų2943.6 Ų43.618%0.17623%0.228CC..  trans-123.3123.3-175.1177.70000110.3V272 I306 G308 V315 L342 V355V272-V310 HydrophobicContact CG2-CB 4.4Å; V272-V310 HydrophobicContact CG2-CG1 3.73Å; V272-V310 HydrophobicContact CG2-CG2 4.17Å; I306-V310 HydrophobicContact CG2-CG2 3.72Å; G308-V310 PolarHBondContact O-N 3.3Å; G308-V310 VanDerWaalsContact O-N 3.1Å; V310-V315 HydrophobicContact CG1-CG2 3.56Å; V310-L342 HydrophobicContact CB-CD2 4.23Å; V310-L342 HydrophobicContact CG1-CD1 4.15Å; V310-L342 HydrophobicContact CG1-CD2 3.69Å; V310-V355 HydrophobicContact CG2-CG1 4.08Å; V310-V355 HydrophobicContact CG2-CG2 4.49Å
311D87.8Confident92.2Very high80 Ų8049 Ų4943%0.42825%0.248SC..  trans-80.9123.1165.8175.7-1.3000109.3T313 E314 V315D311-T313 PolarHBondContact O-N 2.87Å; D311-T313 VanDerWaalsContact O-N 3.08Å; D311-T313 VanDerWaalsContact OD1-CB 3.23Å; D311-T313 WeakPolarHBondContact OD1-CB 3.38Å; D311-T313 PolarHBondContact OD1-N 3.16Å; D311-T313 PolarHBondContact OD1-OG1 3.06Å; D311-E314 HydrophobicContact CB-CG 4.11Å; D311-E314 WeakPolarHBondContact O-CB 3.47Å; D311-E314 PolarHBondContact O-N 3.22Å; D311-V315 PolarHBondContact O-N 2.85Å
312P88.1Confident92.1Very high85 Ų8549 Ų4955%0.55225%0.247SC*.Hα-helixtrans-52.2-29.2174.4-27.535.8000114.2E314 V315 H316 L342P312-E314 VanDerWaalsContact C-N 3.33Å; P312-E314 PolarHBondContact O-N 3.35Å; P312-V315 WeakPolarHBondContact O-CB 3.38Å; P312-V315 PolarHBondContact O-N 2.92Å; P312-H316 PolarHBondContact O-N 3.36Å; P312-H316 VanDerWaalsContact O-N 3.11Å; P312-L342 HydrophobicContact CG-CD1 4.21Å
313T92Very high91.8Very high71 Ų7156 Ų5644%0.43627%0.273SS..Hα-helixtrans-64.8-37.2176-47.30000111.8D311 V315 H316 K317D311-T313 PolarHBondContact O-N 2.87Å; D311-T313 VanDerWaalsContact O-N 3.08Å; D311-T313 VanDerWaalsContact OD1-CB 3.23Å; D311-T313 WeakPolarHBondContact OD1-CB 3.38Å; D311-T313 PolarHBondContact OD1-N 3.16Å; D311-T313 PolarHBondContact OD1-OG1 3.06Å; T313-V315 VanDerWaalsContact C-N 3.32Å; T313-H316 PolarHBondContact O-N 3.04Å; T313-K317 HydrophobicContact CG2-CD 4.37Å; T313-K317 WeakPolarHBondContact O-CG 3.27Å; T313-K317 PolarHBondContact O-N 2.95Å; T313-K317 VanDerWaalsContact O-N 3.09Å
314E92.4Very high91.7Very high85 Ų8562.9 Ų62.940%0.39731%0.306SS..Hα-helixtrans-67.9-34.6175.7-68.6-167.2148.900111.7V272 D311 P312 S318V272-E314 HydrophobicContact CB-CB 4.27Å; V272-E314 HydrophobicContact CG2-CB 4.11Å; V272-E314 WeakPolarHBondContact CG2-OE2 3.44Å; D311-E314 HydrophobicContact CB-CG 4.11Å; D311-E314 WeakPolarHBondContact O-CB 3.47Å; D311-E314 PolarHBondContact O-N 3.22Å; P312-E314 VanDerWaalsContact C-N 3.33Å; P312-E314 PolarHBondContact O-N 3.35Å; E314-S318 VanDerWaalsContact O-CB 3.24Å; E314-S318 WeakPolarHBondContact O-CB 3.42Å; E314-S318 PolarHBondContact O-N 3.49Å; E314-S318 PolarHBondContact O-OG 2.86Å
315V92.8Very high91.6Very high13 Ų1370.4 Ų70.48%0.07933%0.334CS..Hα-helixtrans-62.1-50.1174.21800000110.1V272 V310 D311 P312 T313 K317 S318 L319 V340 L342V272-V315 HydrophobicContact CG1-CG2 3.99Å; V310-V315 HydrophobicContact CG1-CG2 3.56Å; D311-V315 PolarHBondContact O-N 2.85Å; P312-V315 WeakPolarHBondContact O-CB 3.38Å; P312-V315 PolarHBondContact O-N 2.92Å; T313-V315 VanDerWaalsContact C-N 3.32Å; V315-K317 PolarHBondContact O-N 3.45Å; V315-S318 WeakPolarHBondContact O-CB 3.33Å; V315-S318 PolarHBondContact O-N 3.15Å; V315-S318 VanDerWaalsContact O-N 3.12Å; V315-L319 HydrophobicContact CG1-CD1 4.21Å; V315-L319 WeakPolarHBondContact O-CG 3.42Å; V315-L319 PolarHBondContact O-N 3.01Å; V315-V340 HydrophobicContact CG1-CB 3.77Å; V315-V340 HydrophobicContact CG1-CG1 3.66Å; V315-V340 HydrophobicContact CG1-CG2 3.79Å; V315-L342 HydrophobicContact CG2-CD1 4.44Å; V315-L342 HydrophobicContact CG2-CD2 3.99Å
316H92.5Very high91.5Very high112 Ų11280.9 Ų80.952%0.51937%0.374SS..Hα-helixtrans-60.8-46.3-179.7-170.676.2000112P312 T313 S318 L319 Q320P312-H316 PolarHBondContact O-N 3.36Å; P312-H316 VanDerWaalsContact O-N 3.11Å; T313-H316 PolarHBondContact O-N 3.04Å; H316-S318 VanDerWaalsContact C-N 3.28Å; H316-S318 PolarHBondContact O-N 3.4Å; H316-L319 PolarHBondContact O-N 3.01Å; H316-Q320 PolarHBondContact CD2-NE2 2.82Å; H316-Q320 VanDerWaalsContact CD2-NE2 3.35Å; H316-Q320 PolarHBondContact NE2-NE2 3.21Å; H316-Q320 WeakPolarHBondContact O-CG 3.29Å; H316-Q320 PolarHBondContact O-N 3.19Å
317K95.6Very high91.4Very high108 Ų10883.7 Ų83.747%0.4739%0.387SS..Hα-helixtrans-60.2-38174.8-72.1171.2-179.8168.30112.1T313 V315 R321T313-K317 HydrophobicContact CG2-CD 4.37Å; T313-K317 WeakPolarHBondContact O-CG 3.27Å; T313-K317 PolarHBondContact O-N 2.95Å; T313-K317 VanDerWaalsContact O-N 3.09Å; V315-K317 PolarHBondContact O-N 3.45Å; K317-R321 WeakPolarHBondContact O-CG 3.39Å; K317-R321 PolarHBondContact O-N 3.35Å; K317-R321 VanDerWaalsContact O-N 3.1Å
318S95.2Very high91.5Very high4 Ų483.7 Ų83.73%0.02839%0.39CS..Hα-helixtrans-67.9-42.8178.5-61.90000111.8F273 M276 E314 V315 H316 R321 I322F273-S318 WeakPolarHBondContact CA-OG 3.5Å; F273-S318 WeakPolarHBondContact CB-OG 3.47Å; F273-S318 PolarHBondContact N-OG 3.33Å; M276-S318 VanDerWaalsContact SD-CB 3.55Å; E314-S318 VanDerWaalsContact O-CB 3.24Å; E314-S318 WeakPolarHBondContact O-CB 3.42Å; E314-S318 PolarHBondContact O-N 3.49Å; E314-S318 PolarHBondContact O-OG 2.86Å; V315-S318 WeakPolarHBondContact O-CB 3.33Å; V315-S318 PolarHBondContact O-N 3.15Å; V315-S318 VanDerWaalsContact O-N 3.12Å; H316-S318 VanDerWaalsContact C-N 3.28Å; H316-S318 PolarHBondContact O-N 3.4Å; S318-R321 PolarHBondContact O-N 3.15Å; S318-I322 WeakPolarHBondContact O-CG1 3.46Å; S318-I322 PolarHBondContact O-N 2.9Å
319L94.1Very high91.8Very high29 Ų2988.1 Ų88.115%0.15241%0.405CS..Hα-helixtrans-60.9-45.6174.5-73.7171.6000112M276 V315 H316 R321 I322 R323 I338 V340M276-L319 HydrophobicContact CE-CD2 3.52Å; M276-L319 HydrophobicContact CE-CG 3.87Å; V315-L319 HydrophobicContact CG1-CD1 4.21Å; V315-L319 WeakPolarHBondContact O-CG 3.42Å; V315-L319 PolarHBondContact O-N 3.01Å; H316-L319 PolarHBondContact O-N 3.01Å; L319-R321 PolarHBondContact O-N 3.1Å; L319-I322 PolarHBondContact O-N 2.97Å; L319-R323 WeakPolarHBondContact O-CG 3.39Å; L319-R323 PolarHBondContact O-N 3.27Å; L319-I338 HydrophobicContact CD2-CB 3.83Å; L319-I338 HydrophobicContact CD2-CG2 3.58Å; L319-V340 HydrophobicContact CD1-CG2 4.12Å; L319-V340 HydrophobicContact CD2-CG2 4.03Å; L319-V340 HydrophobicContact CG-CG2 4.31Å
320Q93.2Very high92.5Very high88 Ų8882.3 Ų82.341%0.41138%0.377SS..Hα-helixtrans-57-50176-73.3178.8-17.600111.1H316 I322 R323 E324H316-Q320 PolarHBondContact CD2-NE2 2.82Å; H316-Q320 VanDerWaalsContact CD2-NE2 3.35Å; H316-Q320 PolarHBondContact NE2-NE2 3.21Å; H316-Q320 WeakPolarHBondContact O-CG 3.29Å; H316-Q320 PolarHBondContact O-N 3.19Å; Q320-I322 PolarHBondContact O-N 3.28Å; Q320-R323 WeakPolarHBondContact O-CB 3.41Å; Q320-R323 PolarHBondContact O-N 3.24Å; Q320-R323 VanDerWaalsContact O-N 3.17Å; Q320-E324 WeakPolarHBondContact O-CB 3.12Å; Q320-E324 WeakPolarHBondContact O-CG 3.28Å; Q320-E324 PolarHBondContact O-N 3.24Å
321R94.9Very high93Very high118 Ų11881.4 Ų81.445%0.44537%0.371SS..Hα-helixtrans-61.4-39.6178.6-72.4174.9-177.1-179.62.4113.5F273 K317 S318 L319 R323 R325F273-R321 HydrophobicContact CD2-CB 4.27Å; F273-R321 HydrophobicContact CE2-CB 3.63Å; F273-R321 HydrophobicContact CZ-CB 4.28Å; K317-R321 WeakPolarHBondContact O-CG 3.39Å; K317-R321 PolarHBondContact O-N 3.35Å; K317-R321 VanDerWaalsContact O-N 3.1Å; S318-R321 PolarHBondContact O-N 3.15Å; L319-R321 PolarHBondContact O-N 3.1Å; R321-R323 VanDerWaalsContact C-N 3.33Å; R321-R325 WeakPolarHBondContact O-CB 3.48Å; R321-R325 WeakPolarHBondContact O-CG 3.45Å; R321-R325 PolarHBondContact O-N 2.92Å; R321-R325 VanDerWaalsContact O-N 3.08Å
322I94.6Very high93.3Very high4 Ų481.1 Ų81.12%0.02137%0.374CS..Hα-helixtrans-62.7-42.9176.8-75.7167.7000110.3F273 M276 L280 S318 L319 Q320 R326 M327 I338F273-I322 HydrophobicContact CE2-CG1 4.28Å; M276-I322 HydrophobicContact CB-CD1 3.77Å; M276-I322 HydrophobicContact CE-CD1 4.05Å; L280-I322 HydrophobicContact CD1-CD1 4.2Å; L280-I322 HydrophobicContact CD1-CG1 4.36Å; L280-I322 HydrophobicContact CD1-CG2 3.75Å; S318-I322 WeakPolarHBondContact O-CG1 3.46Å; S318-I322 PolarHBondContact O-N 2.9Å; L319-I322 PolarHBondContact O-N 2.97Å; Q320-I322 PolarHBondContact O-N 3.28Å; I322-R326 PolarHBondContact O-N 3.4Å; I322-M327 HydrophobicContact CG1-SD 4.07Å; I322-M327 HydrophobicContact CG2-CB 4.33Å; I322-M327 PolarHBondContact O-N 2.85Å; I322-M327 VanDerWaalsContact O-N 3.16Å; I322-I338 HydrophobicContact CG2-CD1 3.74Å
323R91.1Very high93.5Very high148 Ų14879.8 Ų79.856%0.55836%0.358SS*.Hα-helixtrans-66.6-50.6177.6-73.5176.4170179.4-3.3112.1L319 Q320 R321 R325 R326 A336L319-R323 WeakPolarHBondContact O-CG 3.39Å; L319-R323 PolarHBondContact O-N 3.27Å; Q320-R323 WeakPolarHBondContact O-CB 3.41Å; Q320-R323 PolarHBondContact O-N 3.24Å; Q320-R323 VanDerWaalsContact O-N 3.17Å; R321-R323 VanDerWaalsContact C-N 3.33Å; R323-R325 VanDerWaalsContact C-N 3.28Å; R323-R325 PolarHBondContact O-N 3.4Å; R323-R326 PolarHBondContact O-N 2.97Å; R323-A336 PolarHBondContact NH2-O 3.22Å
324E92.6Very high93.4Very high146 Ų14677.6 Ų77.668%0.68235%0.35SS*.Hα-helixtrans-57.1-41.4178.9-74.6170.9179.400112.1Q320 R326Q320-E324 WeakPolarHBondContact O-CB 3.12Å; Q320-E324 WeakPolarHBondContact O-CG 3.28Å; Q320-E324 PolarHBondContact O-N 3.24Å; E324-R326 VanDerWaalsContact C-N 3.29Å; E324-R326 PolarHBondContact O-N 3.49Å
325R94.4Very high93.2Very high161 Ų16179 Ų7961%0.60837%0.366SS*.THydrogen-bonded Turntrans-85.41.4-179.9-65.8178177.4-162.93.6113.8R321 R323 M327R321-R325 WeakPolarHBondContact O-CB 3.48Å; R321-R325 WeakPolarHBondContact O-CG 3.45Å; R321-R325 PolarHBondContact O-N 2.92Å; R321-R325 VanDerWaalsContact O-N 3.08Å; R323-R325 VanDerWaalsContact C-N 3.28Å; R323-R325 PolarHBondContact O-N 3.4Å; R325-M327 HydrophobicContact CB-CE 3.89Å; R325-M327 HydrophobicContact CB-CG 3.9Å; R325-M327 HydrophobicContact CG-CE 4.26Å; R325-M327 PolarHBondContact O-N 2.98Å
326R91.5Very high92.8Very high221 Ų22180.3 Ų80.383%0.83438%0.378SS*.THydrogen-bonded Turntrans46.446.4-178.9-58.9-177.8179.9-175.9-1112.6I322 R323 E324 A328I322-R326 PolarHBondContact O-N 3.4Å; R323-R326 PolarHBondContact O-N 2.97Å; E324-R326 VanDerWaalsContact C-N 3.29Å; E324-R326 PolarHBondContact O-N 3.49Å; R326-A328 PolarHBondContact O-N 3.35Å
327M92.2Very high92.4Very high60 Ų6076.6 Ų76.630%0.29636%0.364SS..  trans-69.3-15.3-173-61.4-167.5179.300114.2F273 R277 L280 I322 R325F273-M327 HydrophobicContact CE2-CE 4.21Å; F273-M327 HydrophobicContact CZ-CE 3.75Å; R277-M327 HydrophobicContact CG-SD 4.04Å; L280-M327 HydrophobicContact CD1-CB 4.1Å; I322-M327 HydrophobicContact CG1-SD 4.07Å; I322-M327 HydrophobicContact CG2-CB 4.33Å; I322-M327 PolarHBondContact O-N 2.85Å; I322-M327 VanDerWaalsContact O-N 3.16Å; R325-M327 HydrophobicContact CB-CE 3.89Å; R325-M327 HydrophobicContact CB-CG 3.9Å; R325-M327 HydrophobicContact CG-CE 4.26Å; R325-M327 PolarHBondContact O-N 2.98Å
328A92.7Very high92.3Very high17 Ų1772.1 Ų72.114%0.1435%0.345CS..SBendtrans-136.9138.4178.700000109.4L280 Y299 R326 F330L280-A328 HydrophobicContact CD1-CB 4.26Å; L280-A328 HydrophobicContact CD2-CB 4.24Å; Y299-A328 HydrophobicContact CD2-CB 3.8Å; Y299-A328 HydrophobicContact CE2-CB 3.9Å; R326-A328 PolarHBondContact O-N 3.35Å; A328-F330 HydrophobicContact CB-CD2 4.37Å; A328-F330 HydrophobicContact CB-CE2 3.66Å; A328-F330 HydrophobicContact CB-CZ 4.22Å
329Q93.8Very high92.2Very high116 Ų11674.8 Ų74.854%0.54236%0.358SS..PPolyproline II helixtrans-91123.1174.6-176.3174.3-7.100108.9C298 Y299C298-Q329 CarbonylContact C-O 3.53Å; C298-Q329 WeakPolarHBondContact CA-O 3.49Å; C298-Q329 HydrophobicContact CB-CB 4.46Å; C298-Q329 HydrophobicContact CB-CG 4Å; C298-Q329 WeakPolarHBondContact CB-O 3.47Å; Y299-Q329 PolarHBondContact N-O 3.44Å
330F95.3Very high92.1Very high33 Ų3374.5 Ų74.515%0.14536%0.357CS..BIsolated β-bridgetrans-103.7162.2177.7-72.7-93.9000111.3Y299 I302 A328 A336 S337 I338Y299-F330 HydrophobicContact CG-CE1 4.47Å; Y299-F330 CarbonylContact O-C 3.55Å; Y299-F330 WeakPolarHBondContact O-CA 3.27Å; I302-F330 HydrophobicContact CD1-CE1 4.15Å; I302-F330 HydrophobicContact CD1-CZ 3.76Å; I302-F330 HydrophobicContact CG1-CE1 4.13Å; I302-F330 HydrophobicContact CG1-CZ 4.24Å; A328-F330 HydrophobicContact CB-CD2 4.37Å; A328-F330 HydrophobicContact CB-CE2 3.66Å; A328-F330 HydrophobicContact CB-CZ 4.22Å; F330-A336 HydrophobicContact CB-CB 4.03Å; F330-A336 HydrophobicContact CD1-CB 4.11Å; F330-A336 HydrophobicContact CD2-CB 3.52Å; F330-A336 HydrophobicContact CE2-CB 4Å; F330-A336 HydrophobicContact CG-CB 3.6Å; F330-A336 HydrophobicContact CZ-CB 4.49Å; F330-S337 WeakPolarHBondContact CE1-O 3.47Å; F330-I338 HydrophobicContact CE1-CG1 4.15Å; F330-I338 HydrophobicContact CE2-CD1 4.14Å; F330-I338 HydrophobicContact CE2-CG1 4.19Å; F330-I338 HydrophobicContact CZ-CD1 3.79Å; F330-I338 HydrophobicContact CZ-CG1 3.41Å; F330-I338 VanDerWaalsContact CZ-CG1 3.41Å
331I95.1Very high92.1Very high11 Ų1170.3 Ų70.36%0.05634%0.338CS..PPolyproline II helixtrans-48.7139.7169.747.9166.6000111.9Y299 V300 W333Y299-I331 PolarHBondContact O-N 2.85Å; V300-I331 HydrophobicContact CB-CG2 4.31Å; V300-I331 HydrophobicContact CG1-CD1 4.16Å; V300-I331 HydrophobicContact CG2-CG2 3.85Å; I331-W333 HydrophobicContact CB-CD2 4.3Å; I331-W333 HydrophobicContact CB-CZ2 4.04Å; I331-W333 HydrophobicContact CD1-CD2 3.88Å; I331-W333 HydrophobicContact CD1-CE3 3.79Å; I331-W333 HydrophobicContact CD1-CH2 3.31Å; I331-W333 HydrophobicContact CD1-CZ2 3.38Å; I331-W333 HydrophobicContact CD1-CZ3 3.52Å; I331-W333 HydrophobicContact CG1-CZ2 4.3Å; I331-W333 HydrophobicContact CG2-CZ2 3.84Å
332P94.5Very high91.9Very high73 Ų7367 Ų6747%0.47433%0.329SS..THydrogen-bonded Turntrans-80.8-13.9-17530.3-36000114.6R424P332-R424 VanDerWaalsContact CG-C 3.46Å
333W93.3Very high91.7Very high57 Ų5767.1 Ų67.122%0.21633%0.329CS..THydrogen-bonded Turntrans-100.62.9-173.948.7-95.6000113.6P244 V300 I331 A422 R424 Y427 I428P244-W333 HydrophobicContact CG-CH2 4.36Å; V300-W333 HydrophobicContact CG1-CH2 4.43Å; I331-W333 HydrophobicContact CB-CD2 4.3Å; I331-W333 HydrophobicContact CB-CZ2 4.04Å; I331-W333 HydrophobicContact CD1-CD2 3.88Å; I331-W333 HydrophobicContact CD1-CE3 3.79Å; I331-W333 HydrophobicContact CD1-CH2 3.31Å; I331-W333 HydrophobicContact CD1-CZ2 3.38Å; I331-W333 HydrophobicContact CD1-CZ3 3.52Å; I331-W333 HydrophobicContact CG1-CZ2 4.3Å; I331-W333 HydrophobicContact CG2-CZ2 3.84Å; W333-A422 HydrophobicContact CZ2-CB 4.42Å; W333-A422 PolarHBondContact NE1-O 3.42Å; W333-R424 VanDerWaalsContact CD1-O 3.25Å; W333-Y427 VanDerWaalsContact CD1-CB 3.48Å; W333-Y427 AromaticContact CD2-CD1 3.66Å; W333-Y427 HydrophobicContact CD2-CD1 3.66Å; W333-Y427 HydrophobicContact CD2-CE1 4.47Å; W333-Y427 HydrophobicContact CD2-CG 4.42Å; W333-Y427 AromaticContact CE2-CD1 3.26Å; W333-Y427 AromaticContact CE2-CE1 3.92Å; W333-Y427 AromaticContact CE2-CG 3.9Å; W333-Y427 HydrophobicContact CE3-CD1 4.14Å; W333-Y427 HydrophobicContact CG-CD1 4.18Å; W333-Y427 AromaticContact CH2-CD1 3.91Å; W333-Y427 HydrophobicContact CH2-CD1 3.91Å; W333-Y427 AromaticContact CH2-CE1 3.75Å; W333-Y427 HydrophobicContact CH2-CE1 3.75Å; W333-Y427 AromaticContact CZ2-CD1 3.41Å; W333-Y427 HydrophobicContact CZ2-CD1 3.41Å; W333-Y427 VanDerWaalsContact CZ2-CD1 3.41Å; W333-Y427 AromaticContact CZ2-CE1 3.54Å; W333-Y427 HydrophobicContact CZ2-CE1 3.54Å; W333-Y427 HydrophobicContact CZ2-CG 4.27Å; W333-Y427 HydrophobicContact CZ3-CD1 4.25Å; W333-Y427 HydrophobicContact CZ3-CE1 4.31Å; W333-Y427 AromaticContact NE1-CD1 3.6Å; W333-Y427 AromaticContact NE1-CG 3.74Å; W333-I428 HydrophobicContact CB-CG1 4.18Å; W333-I428 HydrophobicContact CD2-CD1 4.37Å; W333-I428 HydrophobicContact CE3-CD1 3.85Å; W333-I428 HydrophobicContact CE3-CG1 4.42Å; W333-I428 HydrophobicContact CZ3-CD1 4.34Å
334G89.6Confident91.5Very high26 Ų2667 Ų6727%0.26833%0.329SS..SBendtrans-145.2165.3179.300000111.9
335P88.4Confident91.1Very high115 Ų11562.9 Ų62.975%0.74731%0.307SS*.  trans-68.5148.3175.829.6-34.2000111.1S337P335-S337 PolarHBondContact O-N 2.81Å
336A84.8Confident91Very high39 Ų3955.8 Ų55.832%0.32228%0.282SS..  trans-62.5104.9171.500000110.9R323 F330R323-A336 PolarHBondContact NH2-O 3.22Å; F330-A336 HydrophobicContact CB-CB 4.03Å; F330-A336 HydrophobicContact CD1-CB 4.11Å; F330-A336 HydrophobicContact CD2-CB 3.52Å; F330-A336 HydrophobicContact CE2-CB 4Å; F330-A336 HydrophobicContact CG-CB 3.6Å; F330-A336 HydrophobicContact CZ-CB 4.49Å
337S83.3Confident90.8Very high34 Ų3448.6 Ų48.624%0.23826%0.264CS..  trans-97.8102-177.4-170.20000110.9I302 F330 P335I302-S337 PolarHBondContact N-O 2.92Å; F330-S337 WeakPolarHBondContact CE1-O 3.47Å; P335-S337 PolarHBondContact O-N 2.81Å
338I93.3Very high90.8Very high14 Ų1447.6 Ų47.67%0.07226%0.257CS..EExtended strand (participates in β ladder)trans-116.2103.6164.8-55.1177000106.6I302 L319 I322 F330I302-I338 HydrophobicContact CB-CG1 4.35Å; I302-I338 HydrophobicContact CB-CG2 4.44Å; I302-I338 HydrophobicContact CD1-CG1 4.35Å; I302-I338 HydrophobicContact CG2-CG2 4.27Å; I302-I338 WeakPolarHBondContact O-CA 3.38Å; L319-I338 HydrophobicContact CD2-CB 3.83Å; L319-I338 HydrophobicContact CD2-CG2 3.58Å; I322-I338 HydrophobicContact CG2-CD1 3.74Å; F330-I338 HydrophobicContact CE1-CG1 4.15Å; F330-I338 HydrophobicContact CE2-CD1 4.14Å; F330-I338 HydrophobicContact CE2-CG1 4.19Å; F330-I338 HydrophobicContact CZ-CD1 3.79Å; F330-I338 HydrophobicContact CZ-CG1 3.41Å; F330-I338 VanDerWaalsContact CZ-CG1 3.41Å
339Q92.5Very high90.5Very high61 Ų6149.3 Ų49.329%0.28527%0.266SS..EExtended strand (participates in β ladder)trans-88.8147.3171.4-64-165.2-8.600110.1P241 I302 L303 N304P241-Q339 VanDerWaalsContact CB-OE1 3.29Å; P241-Q339 VanDerWaalsContact CG-OE1 3.28Å; I302-Q339 PolarHBondContact O-N 3.33Å; L303-Q339 HydrophobicContact CD1-CB 3.82Å; N304-Q339 PolarHBondContact N-O 3.38Å
340V93Very high89.9Confident22 Ų2252 Ų5213%0.13328%0.279CS..EExtended strand (participates in β ladder)trans-129117.3177.2-173.20000108.1M276 N304 I306 V315 L319 L342M276-V340 HydrophobicContact CE-CG2 3.72Å; N304-V340 HydrophobicContact CB-CG2 4.4Å; N304-V340 CarbonylContact O-C 3.59Å; N304-V340 VanDerWaalsContact O-CA 3.3Å; N304-V340 WeakPolarHBondContact O-CA 3.32Å; I306-V340 HydrophobicContact CG1-CG1 3.86Å; V315-V340 HydrophobicContact CG1-CB 3.77Å; V315-V340 HydrophobicContact CG1-CG1 3.66Å; V315-V340 HydrophobicContact CG1-CG2 3.79Å; L319-V340 HydrophobicContact CD1-CG2 4.12Å; L319-V340 HydrophobicContact CD2-CG2 4.03Å; L319-V340 HydrophobicContact CG-CG2 4.31Å; V340-L342 HydrophobicContact CG1-CD2 4.08Å
341A92.6Very high89.1Confident1 Ų153.2 Ų53.21%0.00829%0.289CS..EExtended strand (participates in β ladder)trans-98.6135.2168.400000108.6T224 N232 L303 N304 I305 I306T224-A341 HydrophobicContact CG2-CB 3.93Å; N232-A341 HydrophobicContact CB-CB 4.34Å; N232-A341 WeakPolarHBondContact ND2-CB 3.22Å; L303-A341 HydrophobicContact CD1-CB 4.17Å; N304-A341 PolarHBondContact O-N 3.23Å; I305-A341 WeakPolarHBondContact CA-O 3.3Å; I305-A341 HydrophobicContact CG1-CB 4.21Å; I306-A341 PolarHBondContact N-O 2.81Å
342L91.7Very high88.2Confident49 Ų4957.1 Ų57.126%0.25732%0.315SS..EExtended strand (participates in β ladder)trans-102.4119.7174.1-60.7-176.5000108.1S229 I306 V310 P312 V315 V340S229-L342 PolarHBondContact OG-O 3.35Å; I306-L342 HydrophobicContact CB-CD2 3.99Å; V310-L342 HydrophobicContact CB-CD2 4.23Å; V310-L342 HydrophobicContact CG1-CD1 4.15Å; V310-L342 HydrophobicContact CG1-CD2 3.69Å; P312-L342 HydrophobicContact CG-CD1 4.21Å; V315-L342 HydrophobicContact CG2-CD1 4.44Å; V315-L342 HydrophobicContact CG2-CD2 3.99Å; V340-L342 HydrophobicContact CG1-CD2 4.08Å
343S90Very high87.4Confident5 Ų555.2 Ų55.24%0.03530%0.3CS..EExtended strand (participates in β ladder)trans-108.2137.2175179.70000109.3A223 I306 Q307A223-S343 VanDerWaalsContact CB-OG 3.26Å; A223-S343 WeakPolarHBondContact CB-OG 3.5Å; I306-S343 PolarHBondContact O-N 3.13Å; Q307-S343 WeakPolarHBondContact CA-O 3.43Å
344R86.2Confident86.8Confident147 Ų14760.5 Ų60.556%0.55532%0.32SS*.PPolyproline II helixtrans-66.3159.9163.1-62.8-179.4-174150.91.7109
345R85.3Confident86.8Confident58 Ų5859.6 Ų59.622%0.21931%0.309CS..PPolyproline II helixtrans-93.6156.7172-70.7178.4175.1178.1-9.7109.6Q307 H353 R354 S356Q307-R345 HydrophobicContact CB-CG 4.07Å; Q307-R345 PolarHBondContact O-NE 3.14Å; Q307-R345 PolarHBondContact O-NH2 3.49Å; R345-H353 PolarHBondContact NH1-O 3.31Å; R345-H353 PolarHBondContact NH2-O 2.95Å; R345-R354 PolarHBondContact NH1-O 3.4Å; R345-R354 PolarHBondContact NH2-O 3.09Å; R345-S356 PolarHBondContact NH2-OG 3.17Å; R345-S356 VanDerWaalsContact NH2-OG 3.11Å
346S91.1Very high87Confident12 Ų1254.4 Ų54.48%0.08428%0.275CS..PPolyproline II helixtrans-52.6130.7161.51720000109.5E10 Y227 Y348 V349E10-S346 WeakPolarHBondContact CA-OG 3.29Å; E10-S346 VanDerWaalsContact O-CB 3.29Å; E10-S346 WeakPolarHBondContact O-CB 3.39Å; E10-S346 PolarHBondContact O-OG 3.46Å; Y227-S346 WeakPolarHBondContact OH-CB 3.32Å; S346-Y348 PolarHBondContact O-N 3.2Å; S346-Y348 PolarHBondContact OG-N 3.21Å; S346-V349 PolarHBondContact OG-N 3.43Å
347P88.6Confident87.4Confident70 Ų7052.5 Ų52.546%0.45526%0.26SS..SBendtrans-70.8-12.5171.428.5-32.4000112.8
348Y91.1Very high88Confident39 Ų3950.9 Ų50.915%0.15325%0.248CC..SBendtrans-98.3-26.6-172.5-46.2-47.4000113.1E10 H11 F22 A23 S25 S346 Q350E10-Y348 VanDerWaalsContact O-CD2 3.25Å; E10-Y348 WeakPolarHBondContact O-CD2 3.33Å; H11-Y348 WeakPolarHBondContact O-CE2 3.05Å; F22-Y348 AromaticContact CD2-CD1 3.64Å; F22-Y348 HydrophobicContact CD2-CD1 3.64Å; F22-Y348 HydrophobicContact CD2-CE1 4.19Å; F22-Y348 HydrophobicContact CD2-CG 4.12Å; F22-Y348 AromaticContact CE2-CD1 3.79Å; F22-Y348 HydrophobicContact CE2-CD1 3.79Å; F22-Y348 HydrophobicContact CE2-CD2 4.49Å; F22-Y348 AromaticContact CE2-CG 3.76Å; F22-Y348 HydrophobicContact CE2-CG 3.76Å; A23-Y348 VanDerWaalsContact C-OH 3.27Å; A23-Y348 VanDerWaalsContact CA-CZ 3.45Å; A23-Y348 WeakPolarHBondContact CA-OH 3.17Å; A23-Y348 HydrophobicContact CB-CE1 4.08Å; A23-Y348 HydrophobicContact CB-CE2 3.94Å; S25-Y348 WeakPolarHBondContact CB-OH 3.48Å; S25-Y348 PolarHBondContact N-OH 3.45Å; S25-Y348 VanDerWaalsContact N-OH 3.07Å; S25-Y348 PolarHBondContact O-OH 2.8Å; S346-Y348 PolarHBondContact O-N 3.2Å; S346-Y348 PolarHBondContact OG-N 3.21Å; Y348-Q350 PolarHBondContact O-N 3.5Å
349V88.1Confident88.2Confident53 Ų5350.2 Ų50.232%0.32125%0.245SC..SBendtrans-91.3107.8179.2-179.10000110.3A9 E10 S346 T351A9-V349 HydrophobicContact CB-CG2 4.18Å; A9-V349 WeakPolarHBondContact O-CG2 3.41Å; E10-V349 HydrophobicContact CB-CG2 4.47Å; E10-V349 HydrophobicContact CG-CG2 3.85Å; S346-V349 PolarHBondContact OG-N 3.43Å; V349-T351 PolarHBondContact O-N 2.76Å
350Q81Confident88.4Confident173 Ų17347.7 Ų47.781%0.80823%0.233SC*.  trans-69129.9173.6-64.6-61.7-31.100110.5Y348Y348-Q350 PolarHBondContact O-N 3.5Å
351T78.5Confident88.6Confident58 Ų5846.6 Ų46.636%0.35623%0.227SC..  trans-133.1135.1175179.60000110.6V349 H353V349-T351 PolarHBondContact O-N 2.76Å; T351-H353 PolarHBondContact O-N 2.86Å
352P74.5Confident88.9Confident94 Ų9446.6 Ų46.661%0.6123%0.226SC*.SBendtrans-70.4-18.318028.2-35000112.8P265P265-P352 HydrophobicContact CB-CB 4.26Å
353H78.4Confident89.1Confident33 Ų3345.3 Ų45.315%0.15322%0.219CC..  trans-91.9123.8-172.8-60.1-60.3000110.4P257 T259 R345 T351 V355P257-H353 HydrophobicContact CG-CB 3.99Å; P257-H353 VanDerWaalsContact CG-CD2 3.46Å; P257-H353 WeakPolarHBondContact CG-CD2 3.46Å; P257-H353 WeakPolarHBondContact CG-ND1 3.19Å; T259-H353 VanDerWaalsContact CG2-CE1 3.46Å; T259-H353 WeakPolarHBondContact CG2-CE1 3.28Å; T259-H353 VanDerWaalsContact CG2-NE2 3.3Å; T259-H353 WeakPolarHBondContact CG2-NE2 3.42Å; T259-H353 PolarHBondContact OG1-NE2 3.16Å; R345-H353 PolarHBondContact NH1-O 3.31Å; R345-H353 PolarHBondContact NH2-O 2.95Å; T351-H353 PolarHBondContact O-N 2.86Å; H353-V355 VanDerWaalsContact C-N 3.31Å; H353-V355 PolarHBondContact O-N 3.19Å
354R81.2Confident89.4Confident168 Ų16845 Ų4563%0.63422%0.217SC*.SBendtrans-63.6-34.3176.5-70.5-170.7179.5-164-4.9114.3G308 E309 R345G308-R354 WeakPolarHBondContact CA-O 3.27Å; E309-R354 PolarHBondContact N-O 2.99Å; R345-R354 PolarHBondContact NH1-O 3.4Å; R345-R354 PolarHBondContact NH2-O 3.09Å
355V89.4Confident89.8Confident7 Ų738.3 Ų38.34%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-135.7133.4-178.9-169.70000109.2V275 I306 Q307 V310 H353V275-V355 HydrophobicContact CG2-CB 4.23Å; V275-V355 HydrophobicContact CG2-CG1 3.91Å; I306-V355 HydrophobicContact CG2-CG1 3.53Å; Q307-V355 WeakPolarHBondContact O-CA 3.08Å; V310-V355 HydrophobicContact CG2-CG1 4.08Å; V310-V355 HydrophobicContact CG2-CG2 4.49Å; H353-V355 VanDerWaalsContact C-N 3.31Å; H353-V355 PolarHBondContact O-N 3.19Å
356S92Very high90.4Very high5 Ų535.5 Ų35.54%0.03518%0.182CC..EExtended strand (participates in β ladder)trans-130.5162.9172.547.30000109.2T256 Q307 R345T256-S356 CarbonylContact O-C 3.58Å; T256-S356 WeakPolarHBondContact O-CA 3.49Å; Q307-S356 PolarHBondContact N-O 2.78Å; Q307-S356 PolarHBondContact O-N 3.39Å; R345-S356 PolarHBondContact NH2-OG 3.17Å; R345-S356 VanDerWaalsContact NH2-OG 3.11Å
357G94Very high90.6Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-153.9147176.800000113.4Y255 T256 I305Y255-G357 WeakPolarHBondContact CA-O 3.38Å; T256-G357 PolarHBondContact N-O 3.25Å; T256-G357 PolarHBondContact O-N 2.9Å; I305-G357 CarbonylContact O-C 3.53Å; I305-G357 VanDerWaalsContact O-CA 3.22Å; I305-G357 WeakPolarHBondContact O-CA 3.27Å
358L96.2Very high90.9Very high0 Ų031.8 Ų31.80%016%0.158CC..EExtended strand (participates in β ladder)trans-106.6139.9166176.275.5000108.5V217 A220 S221 G254 Y255 N304 I305 L360V217-L358 HydrophobicContact CB-CD1 4.39Å; V217-L358 HydrophobicContact CG1-CD1 3.94Å; V217-L358 HydrophobicContact CG2-CD1 4.25Å; A220-L358 HydrophobicContact CB-CB 3.99Å; A220-L358 HydrophobicContact CB-CD2 4.12Å; S221-L358 VanDerWaalsContact CA-CD2 3.42Å; G254-L358 CarbonylContact O-C 3.56Å; G254-L358 WeakPolarHBondContact O-CA 3.44Å; G254-L358 WeakPolarHBondContact O-CD1 3.36Å; Y255-L358 HydrophobicContact CD2-CB 4.19Å; Y255-L358 HydrophobicContact CD2-CD1 4.19Å; N304-L358 CarbonylContact C-O 3.49Å; N304-L358 VanDerWaalsContact CA-O 3.29Å; N304-L358 WeakPolarHBondContact CA-O 3.35Å; I305-L358 HydrophobicContact CB-CB 4.4Å; I305-L358 HydrophobicContact CD1-CD2 4.34Å; I305-L358 PolarHBondContact N-O 3.48Å; I305-L358 PolarHBondContact O-N 3.41Å; L358-L360 HydrophobicContact CD2-CD2 3.99Å; L358-L360 HydrophobicContact CD2-CG 4.03Å; L358-L360 HydrophobicContact CG-CD2 4.4Å; L358-L360 HydrophobicContact CG-CG 4.45Å
359L97.3Very high91.1Very high0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-107.7128.2163.7170147.3000108.5T253 G254 L279 L280 M285 I302 L303 A361T253-L359 CarbonylContact C-O 3.51Å; T253-L359 WeakPolarHBondContact CA-O 3.41Å; G254-L359 PolarHBondContact N-O 3.36Å; G254-L359 PolarHBondContact O-N 3.44Å; L279-L359 HydrophobicContact CB-CB 3.99Å; L279-L359 HydrophobicContact CB-CD1 4.11Å; L279-L359 HydrophobicContact CD1-CB 4.2Å; L279-L359 HydrophobicContact CD2-CB 3.95Å; L279-L359 HydrophobicContact CG-CB 4.25Å; L279-L359 WeakPolarHBondContact O-CD1 3.18Å; L280-L359 HydrophobicContact CD2-CD1 4.17Å; M285-L359 HydrophobicContact CE-CD1 4.5Å; M285-L359 HydrophobicContact CE-CD2 3.95Å; M285-L359 HydrophobicContact SD-CD2 3.99Å; I302-L359 HydrophobicContact CD1-CD1 4.44Å; I302-L359 HydrophobicContact CG2-CD1 3.68Å; I302-L359 HydrophobicContact CG2-CG 4.02Å; L303-L359 WeakPolarHBondContact O-CA 3.48Å; L359-A361 HydrophobicContact CD2-CB 3.43Å; L359-A361 VanDerWaalsContact CD2-CB 3.43Å; L359-A361 HydrophobicContact CG-CB 4.11Å
360L97.4Very high91.5Very high7 Ų727.4 Ų27.44%0.03714%0.135CC..EExtended strand (participates in β ladder)trans-107.8122.6159.2-61.9179.5000106.7L242 L251 T253 L303 L358L242-L360 HydrophobicContact CD1-CB 3.99Å; L242-L360 HydrophobicContact CD1-CD1 4.15Å; L242-L360 HydrophobicContact CD2-CB 4.43Å; L242-L360 WeakPolarHBondContact CD2-O 3.25Å; L251-L360 HydrophobicContact CD1-CB 4.43Å; T253-L360 HydrophobicContact CG2-CD2 3.63Å; L303-L360 HydrophobicContact CB-CB 4.4Å; L303-L360 HydrophobicContact CD2-CD1 4.42Å; L303-L360 PolarHBondContact N-O 3.35Å; L303-L360 PolarHBondContact O-N 3.43Å; L358-L360 HydrophobicContact CD2-CD2 3.99Å; L358-L360 HydrophobicContact CD2-CG 4.03Å; L358-L360 HydrophobicContact CG-CD2 4.4Å; L358-L360 HydrophobicContact CG-CG 4.45Å
361A97.2Very high92.2Very high0 Ų022 Ų220%011%0.111CC..EExtended strand (participates in β ladder)trans-132.7132.9-178.900000111.8L251 M252 Y299 S301 I302 L359L251-A361 CarbonylContact C-O 3.59Å; L251-A361 WeakPolarHBondContact CA-O 3.45Å; M252-A361 HydrophobicContact CG-CB 3.96Å; M252-A361 WeakPolarHBondContact CG-O 3.43Å; M252-A361 PolarHBondContact N-O 3.04Å; M252-A361 PolarHBondContact O-N 2.89Å; Y299-A361 HydrophobicContact CD1-CB 3.88Å; Y299-A361 HydrophobicContact CE1-CB 3.73Å; S301-A361 WeakPolarHBondContact O-CA 3.25Å; I302-A361 HydrophobicContact CG1-CB 4.16Å; L359-A361 HydrophobicContact CD2-CB 3.43Å; L359-A361 VanDerWaalsContact CD2-CB 3.43Å; L359-A361 HydrophobicContact CG-CB 4.11Å
362N97Very high92.9Very high0 Ų022 Ų220%011%0.105CC..EExtended strand (participates in β ladder)trans-86.1114.1162.1-173.3-20.8000107.5L242 L248 L251 V300 S301L242-N362 VanDerWaalsContact O-CB 3.29Å; L242-N362 WeakPolarHBondContact O-CB 3.47Å; L242-N362 PolarHBondContact O-ND2 3.27Å; L248-N362 PolarHBondContact O-ND2 2.93Å; L251-N362 HydrophobicContact CD2-CB 3.77Å; V300-N362 HydrophobicContact CB-CB 3.94Å; V300-N362 WeakPolarHBondContact CB-O 3.46Å; V300-N362 HydrophobicContact CG1-CB 4.44Å; V300-N362 PolarHBondContact N-O 3.44Å; S301-N362 PolarHBondContact N-O 3.3Å; S301-N362 PolarHBondContact O-N 2.99Å; S301-N362 VanDerWaalsContact OG-CB 3.31Å; S301-N362 WeakPolarHBondContact OG-CB 3.43Å
363H96.6Very high93.9Very high22 Ų2217.6 Ų17.610%0.1028%0.076CC..EExtended strand (participates in β ladder)trans-142.2132.2-174.5-179.6-82.1000110.6M252 C298 Y299 S365 I366M252-H363 HydrophobicContact CE-CB 3.52Å; M252-H363 HydrophobicContact CG-CB 4.45Å; M252-H363 HydrophobicContact SD-CB 3.72Å; C298-H363 PolarHBondContact O-CD2 2.83Å; C298-H363 VanDerWaalsContact O-CD2 3.28Å; Y299-H363 HydrophobicContact CD1-CB 3.97Å; Y299-H363 AromaticContact CD1-CD2 3.52Å; Y299-H363 AromaticContact CD2-CD2 3.67Å; Y299-H363 HydrophobicContact CE1-CB 4.2Å; Y299-H363 AromaticContact CE1-CD2 3.68Å; Y299-H363 AromaticContact CE2-CD2 3.83Å; Y299-H363 AromaticContact CG-CD2 3.51Å; Y299-H363 AromaticContact CZ-CD2 3.84Å; Y299-H363 PolarHBondContact N-CD2 2.86Å; Y299-H363 VanDerWaalsContact N-CD2 3.31Å; H363-S365 VanDerWaalsContact CE1-CB 3.47Å; H363-S365 WeakPolarHBondContact CE1-CB 3.35Å; H363-S365 PolarHBondContact CE1-OG 3.36Å; H363-S365 VanDerWaalsContact ND1-CB 3.33Å; H363-S365 WeakPolarHBondContact ND1-CB 3.43Å; H363-S365 PolarHBondContact ND1-N 2.75Å; H363-S365 VanDerWaalsContact ND1-N 3.17Å; H363-S365 PolarHBondContact ND1-OG 2.98Å; H363-S365 PolarHBondContact O-N 2.74Å; H363-I366 WeakPolarHBondContact O-CB 3.39Å; H363-I366 VanDerWaalsContact O-CG2 3.28Å; H363-I366 WeakPolarHBondContact O-CG2 3.4Å; H363-I366 PolarHBondContact O-N 2.78Å
364T96.1Very high94.8Very high0 Ų016.6 Ų16.60%07%0.072CC..G310 helixtrans-61.4-21.2-169.351.20000114.3H297 C298 V300 I366 S367 H419 A422 T423H297-T364 WeakPolarHBondContact CA-OG1 3.42Å; H297-T364 PolarHBondContact ND1-O 2.9Å; C298-T364 PolarHBondContact N-OG1 3.24Å; C298-T364 PolarHBondContact O-N 3.3Å; C298-T364 PolarHBondContact O-OG1 3.49Å; V300-T364 HydrophobicContact CG2-CG2 4.06Å; T364-I366 PolarHBondContact O-N 3.4Å; T364-S367 WeakPolarHBondContact O-CB 3.15Å; T364-S367 PolarHBondContact O-N 3.12Å; T364-S367 PolarHBondContact O-OG 3.05Å; T364-H419 WeakPolarHBondContact CG2-O 3.14Å; T364-A422 HydrophobicContact CG2-CB 4.01Å; T364-T423 HydrophobicContact CG2-CG2 4Å
365S96Very high95.4Very high5 Ų511.5 Ų11.54%0.0357%0.066CC..G310 helixtrans-68.1-13.6176.173.60000114.3T289 H297 H363 S367 T368T289-S365 VanDerWaalsContact CB-OG 3.24Å; T289-S365 WeakPolarHBondContact CB-OG 3.36Å; T289-S365 VanDerWaalsContact CG2-O 3.26Å; T289-S365 WeakPolarHBondContact CG2-O 3.36Å; T289-S365 WeakPolarHBondContact CG2-OG 3.48Å; T289-S365 PolarHBondContact OG1-OG 3Å; H297-S365 WeakPolarHBondContact ND1-CA 3.14Å; H297-S365 PolarHBondContact ND1-N 2.67Å; H363-S365 VanDerWaalsContact CE1-CB 3.47Å; H363-S365 WeakPolarHBondContact CE1-CB 3.35Å; H363-S365 PolarHBondContact CE1-OG 3.36Å; H363-S365 VanDerWaalsContact ND1-CB 3.33Å; H363-S365 WeakPolarHBondContact ND1-CB 3.43Å; H363-S365 PolarHBondContact ND1-N 2.75Å; H363-S365 VanDerWaalsContact ND1-N 3.17Å; H363-S365 PolarHBondContact ND1-OG 2.98Å; H363-S365 PolarHBondContact O-N 2.74Å; S365-S367 PolarHBondContact O-N 2.8Å; S365-T368 VanDerWaalsContact O-CB 3.3Å; S365-T368 WeakPolarHBondContact O-CB 3.33Å; S365-T368 WeakPolarHBondContact O-CG2 3.41Å; S365-T368 PolarHBondContact O-N 3.37Å; S365-T368 PolarHBondContact O-OG1 3.09Å
366I96.3Very high95.7Very high0 Ų014 Ų140%08%0.077CC..G310 helixtrans-60.3-26.3174.7-157.4155000111.9V186 F250 M252 H363 T364 T368 L369 F370 H419V186-I366 HydrophobicContact CB-CD1 4.2Å; V186-I366 HydrophobicContact CG2-CD1 3.76Å; V186-I366 HydrophobicContact CG2-CG1 4.47Å; F250-I366 HydrophobicContact CB-CD1 3.73Å; F250-I366 HydrophobicContact CB-CG1 4.31Å; F250-I366 HydrophobicContact CB-CG2 4.22Å; M252-I366 HydrophobicContact CB-CD1 4.47Å; M252-I366 HydrophobicContact CE-CB 4.21Å; H363-I366 WeakPolarHBondContact O-CB 3.39Å; H363-I366 VanDerWaalsContact O-CG2 3.28Å; H363-I366 WeakPolarHBondContact O-CG2 3.4Å; H363-I366 PolarHBondContact O-N 2.78Å; T364-I366 PolarHBondContact O-N 3.4Å; I366-T368 PolarHBondContact O-N 3.25Å; I366-L369 HydrophobicContact CG1-CD1 4.4Å; I366-L369 WeakPolarHBondContact O-CB 3.15Å; I366-L369 PolarHBondContact O-N 3.45Å; I366-F370 HydrophobicContact CG1-CZ 4.34Å; I366-F370 HydrophobicContact CG2-CE2 4.16Å; I366-F370 HydrophobicContact CG2-CZ 4.23Å; I366-H419 WeakPolarHBondContact CG2-NE2 3.43Å
367S95.6Very high95.9Very high0 Ų014 Ų140%08%0.076CC..Hα-helixtrans-55.4-22.6171.561.50000114.5T364 S365 L369 F370 L371T364-S367 WeakPolarHBondContact O-CB 3.15Å; T364-S367 PolarHBondContact O-N 3.12Å; T364-S367 PolarHBondContact O-OG 3.05Å; S365-S367 PolarHBondContact O-N 2.8Å; S367-L369 PolarHBondContact O-N 3.46Å; S367-F370 PolarHBondContact O-N 2.76Å; S367-L371 PolarHBondContact O-N 2.95Å
368T94.8Very high96.1Very high4 Ų416.1 Ų16.13%0.0259%0.087CC..Hα-helixtrans-65.5-25.3174.564.50000113.4Q292 S365 I366 R372Q292-T368 HydrophobicContact CG-CG2 3.7Å; S365-T368 VanDerWaalsContact O-CB 3.3Å; S365-T368 WeakPolarHBondContact O-CB 3.33Å; S365-T368 WeakPolarHBondContact O-CG2 3.41Å; S365-T368 PolarHBondContact O-N 3.37Å; S365-T368 PolarHBondContact O-OG1 3.09Å; I366-T368 PolarHBondContact O-N 3.25Å; T368-R372 WeakPolarHBondContact O-CG 3.38Å; T368-R372 PolarHBondContact O-N 3.44Å; T368-R372 PolarHBondContact O-NE 3.3Å; T368-R372 PolarHBondContact OG1-NH2 3.48Å
369L95.4Very high96Very high0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-71.1-47.8171.7-65.7-176.9000109.9F154 L157 V186 V287 I366 S367 L371 R372 T373F154-L369 HydrophobicContact CD1-CB 4.43Å; F154-L369 HydrophobicContact CD1-CD1 3.98Å; F154-L369 HydrophobicContact CE1-CB 4.41Å; F154-L369 HydrophobicContact CE1-CD1 4.25Å; L157-L369 HydrophobicContact CD1-CD2 4.3Å; V186-L369 HydrophobicContact CG1-CD1 3.8Å; V287-L369 HydrophobicContact CG1-CD1 3.61Å; V287-L369 HydrophobicContact CG1-CG 4.26Å; I366-L369 HydrophobicContact CG1-CD1 4.4Å; I366-L369 WeakPolarHBondContact O-CB 3.15Å; I366-L369 PolarHBondContact O-N 3.45Å; S367-L369 PolarHBondContact O-N 3.46Å; L369-L371 VanDerWaalsContact C-N 3.31Å; L369-L371 PolarHBondContact O-N 2.55Å; L369-R372 PolarHBondContact O-N 2.9Å; L369-R372 VanDerWaalsContact O-N 3.11Å; L369-T373 PolarHBondContact O-N 3.14Å; L369-T373 PolarHBondContact O-OG1 3.42Å
370F96.7Very high95.9Very high0 Ų023.7 Ų23.70%012%0.122CC..Hα-helixtrans-61-42.1179.5-47.5-30.9000111.4F154 L174 F250 I366 S367 R372 T373 L374 V412 L415 I416 H419F154-F370 HydrophobicContact CE1-CD1 4.48Å; F154-F370 HydrophobicContact CE1-CE1 4.2Å; F154-F370 HydrophobicContact CZ-CE1 4.27Å; L174-F370 HydrophobicContact CD1-CD1 4.22Å; L174-F370 HydrophobicContact CD2-CD1 3.88Å; L174-F370 HydrophobicContact CD2-CE1 3.9Å; F250-F370 HydrophobicContact CB-CZ 3.98Å; F250-F370 AromaticContact CD1-CE1 3.93Å; F250-F370 HydrophobicContact CD1-CE1 3.93Å; F250-F370 AromaticContact CD1-CZ 3.67Å; F250-F370 HydrophobicContact CD1-CZ 3.67Å; F250-F370 HydrophobicContact CD2-CE2 4.36Å; F250-F370 AromaticContact CD2-CZ 3.82Å; F250-F370 HydrophobicContact CD2-CZ 3.82Å; F250-F370 HydrophobicContact CE1-CE1 4.03Å; F250-F370 HydrophobicContact CE1-CZ 4.04Å; F250-F370 HydrophobicContact CE2-CZ 4.19Å; F250-F370 HydrophobicContact CG-CE1 4.29Å; F250-F370 HydrophobicContact CG-CE2 4.44Å; F250-F370 AromaticContact CG-CZ 3.55Å; F250-F370 HydrophobicContact CG-CZ 3.55Å; F250-F370 HydrophobicContact CZ-CE1 4.47Å; F250-F370 HydrophobicContact CZ-CZ 4.29Å; I366-F370 HydrophobicContact CG1-CZ 4.34Å; I366-F370 HydrophobicContact CG2-CE2 4.16Å; I366-F370 HydrophobicContact CG2-CZ 4.23Å; S367-F370 PolarHBondContact O-N 2.76Å; F370-R372 VanDerWaalsContact C-N 3.34Å; F370-R372 PolarHBondContact O-N 3.33Å; F370-T373 PolarHBondContact O-N 3.06Å; F370-L374 VanDerWaalsContact O-CB 3.3Å; F370-L374 WeakPolarHBondContact O-CB 3.33Å; F370-L374 PolarHBondContact O-N 3.42Å; F370-V412 HydrophobicContact CB-CG1 4.01Å; F370-L415 HydrophobicContact CD2-CD2 3.55Å; F370-L415 HydrophobicContact CD2-CG 3.91Å; F370-L415 HydrophobicContact CE1-CD2 4.41Å; F370-L415 HydrophobicContact CE2-CD2 3.44Å; F370-L415 VanDerWaalsContact CE2-CD2 3.44Å; F370-L415 HydrophobicContact CE2-CG 3.86Å; F370-L415 HydrophobicContact CG-CD2 4.14Å; F370-L415 HydrophobicContact CZ-CD2 3.91Å; F370-I416 HydrophobicContact CB-CD1 3.87Å; F370-I416 HydrophobicContact CB-CG1 3.63Å; F370-I416 HydrophobicContact CD2-CG1 4.37Å; F370-H419 AromaticContact CE2-CE1 3.81Å
371L95.4Very high95.8Very high59 Ų5927.4 Ų27.431%0.30914%0.135SC..Hα-helixtrans-59-42174.8-82.6168.2000112.6S367 L369 L374 A375 I416S367-L371 PolarHBondContact O-N 2.95Å; L369-L371 VanDerWaalsContact C-N 3.31Å; L369-L371 PolarHBondContact O-N 2.55Å; L371-L374 PolarHBondContact O-N 3.16Å; L371-A375 WeakPolarHBondContact O-CB 3.47Å; L371-A375 PolarHBondContact O-N 2.94Å; L371-I416 HydrophobicContact CD1-CG2 4.16Å; L371-I416 HydrophobicContact CD2-CD1 3.96Å; L371-I416 HydrophobicContact CD2-CG2 3.76Å; L371-I416 HydrophobicContact CG-CD1 3.96Å; L371-I416 HydrophobicContact CG-CG1 4.19Å; L371-I416 HydrophobicContact CG-CG2 3.77Å
372R94.2Very high95.8Very high59 Ų5933.4 Ų33.422%0.22317%0.172CC..Hα-helixtrans-69-43.7177.5-78.4-178.4-105.1167.710.5111.9L157 S288 T368 L369 F370 L374 A375 Q376L157-R372 HydrophobicContact CD1-CB 3.92Å; S288-R372 PolarHBondContact O-NH2 3.01Å; T368-R372 WeakPolarHBondContact O-CG 3.38Å; T368-R372 PolarHBondContact O-N 3.44Å; T368-R372 PolarHBondContact O-NE 3.3Å; T368-R372 PolarHBondContact OG1-NH2 3.48Å; L369-R372 PolarHBondContact O-N 2.9Å; L369-R372 VanDerWaalsContact O-N 3.11Å; F370-R372 VanDerWaalsContact C-N 3.34Å; F370-R372 PolarHBondContact O-N 3.33Å; R372-L374 VanDerWaalsContact C-N 3.3Å; R372-L374 PolarHBondContact O-N 3.02Å; R372-A375 PolarHBondContact O-N 3.18Å; R372-Q376 WeakPolarHBondContact O-CG 3.35Å; R372-Q376 PolarHBondContact O-N 3.27Å
373T95Very high95.7Very high0 Ų042.1 Ų42.10%021%0.205CC..Hα-helixtrans-57.9-45.5174.2-56.70000110.9L174 L369 F370 Q376 Y377L174-T373 HydrophobicContact CD1-CG2 3.84Å; L369-T373 PolarHBondContact O-N 3.14Å; L369-T373 PolarHBondContact O-OG1 3.42Å; F370-T373 PolarHBondContact O-N 3.06Å; T373-Q376 PolarHBondContact O-N 3.19Å; T373-Y377 WeakPolarHBondContact O-CB 3.48Å; T373-Y377 PolarHBondContact O-N 2.98Å
374L96.4Very high95.5Very high12 Ų1243.2 Ų43.26%0.06322%0.222CC..Hα-helixtrans-62.6-44.3178.2-17066.1000112L171 F370 L371 R372 Q376 Y377 D378 R409 I416L171-L374 HydrophobicContact CD1-CD1 4.21Å; F370-L374 VanDerWaalsContact O-CB 3.3Å; F370-L374 WeakPolarHBondContact O-CB 3.33Å; F370-L374 PolarHBondContact O-N 3.42Å; L371-L374 PolarHBondContact O-N 3.16Å; R372-L374 VanDerWaalsContact C-N 3.3Å; R372-L374 PolarHBondContact O-N 3.02Å; L374-Q376 PolarHBondContact O-N 2.99Å; L374-Y377 HydrophobicContact CD1-CD1 4.44Å; L374-Y377 PolarHBondContact O-N 3.28Å; L374-D378 WeakPolarHBondContact O-CB 3.3Å; L374-D378 PolarHBondContact O-N 2.87Å; L374-R409 HydrophobicContact CD1-CG 3.46Å; L374-R409 VanDerWaalsContact CD1-CG 3.46Å; L374-I416 HydrophobicContact CD2-CD1 3.97Å
375A95.4Very high95.4Very high62 Ų6244.4 Ų44.451%0.51223%0.232SC..Hα-helixtrans-64.3-40.1178.400000112.8L371 R372 K379L371-A375 WeakPolarHBondContact O-CB 3.47Å; L371-A375 PolarHBondContact O-N 2.94Å; R372-A375 PolarHBondContact O-N 3.18Å; A375-K379 WeakPolarHBondContact O-CB 3.24Å; A375-K379 PolarHBondContact O-N 2.96Å; A375-K379 VanDerWaalsContact O-N 3.14Å
376Q94.8Very high95.3Very high59 Ų5948.5 Ų48.528%0.27625%0.249SC..Hα-helixtrans-67-43.6175-72.4176.5-20.800111.6P167 R372 T373 L374 K379 L380P167-Q376 HydrophobicContact CB-CB 3.9Å; P167-Q376 HydrophobicContact CG-CB 3.84Å; R372-Q376 WeakPolarHBondContact O-CG 3.35Å; R372-Q376 PolarHBondContact O-N 3.27Å; T373-Q376 PolarHBondContact O-N 3.19Å; L374-Q376 PolarHBondContact O-N 2.99Å; Q376-K379 PolarHBondContact O-N 2.82Å; Q376-L380 PolarHBondContact O-N 3.41Å
377Y96.3Very high95.2Very high5 Ų548.7 Ų48.72%0.0225%0.25CS..Hα-helixtrans-57.9-51.9174.4162.1-92.4000111.2Y168 L171 T373 L374 K379 L380 R381 F405 R409Y168-Y377 AromaticContact CD1-CD2 3.46Å; Y168-Y377 HydrophobicContact CD1-CD2 3.46Å; Y168-Y377 VanDerWaalsContact CD1-CD2 3.46Å; Y168-Y377 AromaticContact CD1-CE2 3.55Å; Y168-Y377 HydrophobicContact CD1-CE2 3.55Å; Y168-Y377 AromaticContact CE1-CD2 3.68Å; Y168-Y377 HydrophobicContact CE1-CD2 3.68Å; Y168-Y377 AromaticContact CE1-CE2 3.63Å; Y168-Y377 HydrophobicContact CE1-CE2 3.63Å; L171-Y377 HydrophobicContact CB-CD2 4.25Å; L171-Y377 HydrophobicContact CB-CG 4.46Å; L171-Y377 HydrophobicContact CD2-CD1 3.85Å; L171-Y377 HydrophobicContact CD2-CD2 3.41Å; L171-Y377 VanDerWaalsContact CD2-CD2 3.41Å; L171-Y377 HydrophobicContact CD2-CE1 3.85Å; L171-Y377 HydrophobicContact CD2-CE2 3.35Å; L171-Y377 HydrophobicContact CD2-CG 3.65Å; L171-Y377 HydrophobicContact CG-CD2 4.39Å; L171-Y377 HydrophobicContact CG-CG 4.48Å; T373-Y377 WeakPolarHBondContact O-CB 3.48Å; T373-Y377 PolarHBondContact O-N 2.98Å; L374-Y377 HydrophobicContact CD1-CD1 4.44Å; L374-Y377 PolarHBondContact O-N 3.28Å; Y377-K379 VanDerWaalsContact C-N 3.27Å; Y377-K379 PolarHBondContact O-N 3.07Å; Y377-L380 PolarHBondContact O-N 3.43Å; Y377-R381 HydrophobicContact CE1-CB 4.08Å; Y377-R381 HydrophobicContact CE1-CG 4.25Å; Y377-R381 HydrophobicContact CE2-CB 4.19Å; Y377-R381 HydrophobicContact CE2-CG 4.43Å; Y377-R381 WeakPolarHBondContact O-CB 3.31Å; Y377-R381 PolarHBondContact O-N 3.29Å; Y377-R381 WeakPolarHBondContact OH-CG 3.27Å; Y377-F405 HydrophobicContact CE2-CB 4.39Å; Y377-F405 AromaticContact CE2-CD1 3.74Å; Y377-F405 HydrophobicContact CE2-CD1 3.74Å; Y377-F405 HydrophobicContact CE2-CE1 4.32Å; Y377-F405 HydrophobicContact CE2-CG 4.25Å; Y377-F405 WeakPolarHBondContact OH-CB 3.23Å; Y377-R409 HydrophobicContact CD1-CG 4.36Å; Y377-R409 HydrophobicContact CE1-CB 4.26Å; Y377-R409 HydrophobicContact CE1-CG 3.93Å
378D97.4Very high95Very high44 Ų4453.5 Ų53.524%0.23527%0.273CS..Hα-helixtrans-58.6-42.3-177.6-79.1-18.3000110.4L374 L380 R381 T382 R409L374-D378 WeakPolarHBondContact O-CB 3.3Å; L374-D378 PolarHBondContact O-N 2.87Å; D378-L380 PolarHBondContact O-N 2.98Å; D378-R381 PolarHBondContact O-N 2.9Å; D378-T382 WeakPolarHBondContact O-CB 3.15Å; D378-T382 PolarHBondContact O-N 3.29Å; D378-T382 PolarHBondContact O-OG1 3.39Å; D378-R409 IonicContact OD1-CZ 2.83Å; D378-R409 IonicContact OD1-NE 2.76Å; D378-R409 PolarHBondContact OD1-NE 2.71Å; D378-R409 IonicContact OD1-NH2 3.83Å; D378-R409 PolarHBondContact OD1-NH2 3.1Å; D378-R409 IonicContact OD2-CZ 3.4Å; D378-R409 IonicContact OD2-NE 2.87Å; D378-R409 IonicContact OD2-NH2 2.96Å; D378-R409 PolarHBondContact OD2-NH2 3.23Å
379K95.6Very high94.9Very high128 Ų12857.6 Ų57.656%0.55729%0.291SS*.Hα-helixtrans-58.9-42.5176.2-175.1-177.9178.7-176.20112.9A375 Q376 Y377 R383A375-K379 WeakPolarHBondContact O-CB 3.24Å; A375-K379 PolarHBondContact O-N 2.96Å; A375-K379 VanDerWaalsContact O-N 3.14Å; Q376-K379 PolarHBondContact O-N 2.82Å; Y377-K379 VanDerWaalsContact C-N 3.27Å; Y377-K379 PolarHBondContact O-N 3.07Å; K379-R383 WeakPolarHBondContact O-CG 3.48Å
380L95Very high94.9Very high31 Ų3157.6 Ų57.616%0.16229%0.291CS..Hα-helixtrans-72.5-43.3176.8-67.1-175.1000111.4P167 Y168 Q376 Y377 D378 T382 R383 G384 A385P167-L380 HydrophobicContact CB-CD1 4.04Å; P167-L380 HydrophobicContact CG-CD1 3.71Å; Y168-L380 HydrophobicContact CD2-CD1 4.41Å; Y168-L380 HydrophobicContact CE1-CB 4.36Å; Y168-L380 HydrophobicContact CE2-CB 4.06Å; Y168-L380 HydrophobicContact CE2-CD1 4.04Å; Y168-L380 WeakPolarHBondContact OH-CB 3.25Å; Y168-L380 PolarHBondContact OH-O 2.97Å; Q376-L380 PolarHBondContact O-N 3.41Å; Y377-L380 PolarHBondContact O-N 3.43Å; D378-L380 PolarHBondContact O-N 2.98Å; L380-T382 PolarHBondContact O-N 2.88Å; L380-R383 PolarHBondContact O-N 3.26Å; L380-R383 VanDerWaalsContact O-N 3.12Å; L380-G384 PolarHBondContact O-N 3.29Å; L380-G384 VanDerWaalsContact O-N 3.15Å; L380-A385 HydrophobicContact CD2-CB 4.23Å; L380-A385 PolarHBondContact O-N 3.18Å; L380-A385 VanDerWaalsContact O-N 3.16Å
381R95.5Very high94.7Very high85 Ų8562.7 Ų62.732%0.32131%0.311SS..Hα-helixtrans-64.5-41.1-176.4-17663178.180.2-2.1112.4Y168 Y377 D378 R383 G384Y168-R381 HydrophobicContact CE1-CB 4.35Å; Y168-R381 PolarHBondContact OH-N 2.9Å; Y377-R381 HydrophobicContact CE1-CB 4.08Å; Y377-R381 HydrophobicContact CE1-CG 4.25Å; Y377-R381 HydrophobicContact CE2-CB 4.19Å; Y377-R381 HydrophobicContact CE2-CG 4.43Å; Y377-R381 WeakPolarHBondContact O-CB 3.31Å; Y377-R381 PolarHBondContact O-N 3.29Å; Y377-R381 WeakPolarHBondContact OH-CG 3.27Å; D378-R381 PolarHBondContact O-N 2.9Å; R381-R383 PolarHBondContact O-N 3.14Å; R381-G384 PolarHBondContact O-N 2.76Å; R381-G384 VanDerWaalsContact O-N 3.12Å
382T95.6Very high94.6Very high126 Ų12666.5 Ų66.577%0.77333%0.325SS*.Hα-helixtrans-61.4-30.8175.3-60.30000112.1D378 L380D378-T382 WeakPolarHBondContact O-CB 3.15Å; D378-T382 PolarHBondContact O-N 3.29Å; D378-T382 PolarHBondContact O-OG1 3.39Å; L380-T382 PolarHBondContact O-N 2.88Å
383R94.9Very high94.5Very high184 Ų18466.2 Ų66.269%0.69433%0.326SS*.THydrogen-bonded Turntrans-87.9-6.6178.1-64.8176.9-179.9-167.1-3.8113.5K379 L380 R381 A385K379-R383 WeakPolarHBondContact O-CG 3.48Å; L380-R383 PolarHBondContact O-N 3.26Å; L380-R383 VanDerWaalsContact O-N 3.12Å; R381-R383 PolarHBondContact O-N 3.14Å; R383-A385 HydrophobicContact CB-CB 4.3Å; R383-A385 PolarHBondContact O-N 3.22Å
384G93.2Very high94.3Very high44 Ų4469.6 Ų69.645%0.45434%0.342SS..THydrogen-bonded Turntrans60.520.2-170.800000113.6L380 R381L380-G384 PolarHBondContact O-N 3.29Å; L380-G384 VanDerWaalsContact O-N 3.15Å; R381-G384 PolarHBondContact O-N 2.76Å; R381-G384 VanDerWaalsContact O-N 3.12Å
385A94.4Very high94Very high26 Ų2671.1 Ų71.122%0.21535%0.351CS..THydrogen-bonded Turntrans-69.8133.8-17300000110.8Y168 L380 R383 I387Y168-A385 VanDerWaalsContact CE2-O 3.24Å; Y168-A385 WeakPolarHBondContact CE2-O 3.38Å; Y168-A385 PolarHBondContact OH-O 2.67Å; L380-A385 HydrophobicContact CD2-CB 4.23Å; L380-A385 PolarHBondContact O-N 3.18Å; L380-A385 VanDerWaalsContact O-N 3.16Å; R383-A385 HydrophobicContact CB-CB 4.3Å; R383-A385 PolarHBondContact O-N 3.22Å; A385-I387 PolarHBondContact O-N 3.25Å
386F93.9Very high94Very high91 Ų9168.3 Ų68.340%0.39933%0.328SS..THydrogen-bonded Turntrans59.24.7176.3-45.9-71.5000116.8V164 V165 E388 Q389V164-F386 HydrophobicContact CB-CD2 4.43Å; V164-F386 HydrophobicContact CB-CE1 4.24Å; V164-F386 HydrophobicContact CB-CE2 4.04Å; V164-F386 HydrophobicContact CB-CZ 3.94Å; V164-F386 HydrophobicContact CG1-CZ 4.43Å; V164-F386 HydrophobicContact CG2-CD1 4.01Å; V164-F386 HydrophobicContact CG2-CD2 4.48Å; V164-F386 HydrophobicContact CG2-CE1 3.96Å; V164-F386 HydrophobicContact CG2-CE2 4.43Å; V164-F386 HydrophobicContact CG2-CG 4.28Å; V164-F386 HydrophobicContact CG2-CZ 4.18Å; V165-F386 HydrophobicContact CG1-CB 3.66Å; V165-F386 HydrophobicContact CG1-CG 4.3Å; F386-E388 VanDerWaalsContact C-N 3.27Å; F386-E388 PolarHBondContact O-N 3.19Å; F386-Q389 PolarHBondContact O-N 3.12Å
387I93.4Very high93.7Very high3 Ų372.4 Ų72.42%0.01534%0.341CS..Hα-helixtrans-63.3-31.6-178.1-70.4-64.5000112.7Y168 A385 Q389 F390 R391 L402 F405Y168-I387 HydrophobicContact CD1-CD1 4.27Å; Y168-I387 HydrophobicContact CE1-CD1 3.53Å; Y168-I387 HydrophobicContact CE2-CD1 3.95Å; Y168-I387 VanDerWaalsContact OH-CD1 3.25Å; Y168-I387 WeakPolarHBondContact OH-CD1 3.45Å; Y168-I387 WeakPolarHBondContact OH-CG1 3.34Å; A385-I387 PolarHBondContact O-N 3.25Å; I387-Q389 PolarHBondContact O-N 3.32Å; I387-Q389 VanDerWaalsContact O-N 3.13Å; I387-F390 WeakPolarHBondContact O-CB 3.44Å; I387-F390 PolarHBondContact O-N 2.97Å; I387-R391 HydrophobicContact CG2-CG 4.35Å; I387-R391 PolarHBondContact O-N 2.86Å; I387-L402 HydrophobicContact CG2-CD1 3.41Å; I387-L402 VanDerWaalsContact CG2-CD1 3.41Å; I387-F405 HydrophobicContact CD1-CE2 4.05Å
388E92.7Very high93.3Very high102 Ų10279.6 Ų79.648%0.47738%0.379SS..Hα-helixtrans-62.8-24.3-175.1-166.753.9-150.700113.3F386 F390 R391 K392F386-E388 VanDerWaalsContact C-N 3.27Å; F386-E388 PolarHBondContact O-N 3.19Å; E388-F390 VanDerWaalsContact C-N 3.33Å; E388-R391 IonicContact OE2-CZ 2.77Å; E388-R391 IonicContact OE2-NH1 2.94Å; E388-R391 PolarHBondContact OE2-NH1 3.2Å; E388-K392 WeakPolarHBondContact O-CG 3.44Å
389Q91.6Very high93Very high89 Ų8978.4 Ų78.442%0.41637%0.373SS..Hα-helixtrans-70.1-32.5174.2-60-179.710.300111.7F386 I387F386-Q389 PolarHBondContact O-N 3.12Å; I387-Q389 PolarHBondContact O-N 3.32Å; I387-Q389 VanDerWaalsContact O-N 3.13Å
390F95.1Very high92.6Very high0 Ų077.5 Ų77.50%038%0.38CS..Hα-helixtrans-73.3-40.8177.1-72.4-98.5000111.7N85 W86 A87 V165 Y168 L172 I387 E388 K392 E393 F396 F405N85-F390 WeakPolarHBondContact OD1-CE1 3.39Å; W86-F390 HydrophobicContact CB-CE1 4.25Å; A87-F390 HydrophobicContact CB-CD1 3.74Å; A87-F390 HydrophobicContact CB-CE1 4.3Å; V165-F390 HydrophobicContact CB-CE2 3.97Å; V165-F390 HydrophobicContact CB-CZ 4.18Å; V165-F390 HydrophobicContact CG1-CE2 3.89Å; Y168-F390 AromaticContact CD2-CE2 3.82Å; Y168-F390 HydrophobicContact CD2-CE2 3.82Å; Y168-F390 HydrophobicContact CD2-CZ 4.28Å; Y168-F390 HydrophobicContact CG-CE2 4.12Å; Y168-F390 HydrophobicContact CG-CZ 4.19Å; L172-F390 HydrophobicContact CD1-CD1 4.36Å; L172-F390 HydrophobicContact CD1-CE1 3.94Å; I387-F390 WeakPolarHBondContact O-CB 3.44Å; I387-F390 PolarHBondContact O-N 2.97Å; E388-F390 VanDerWaalsContact C-N 3.33Å; F390-K392 PolarHBondContact O-N 3.01Å; F390-K392 VanDerWaalsContact O-N 3.11Å; F390-E393 PolarHBondContact O-N 2.85Å; F390-E393 VanDerWaalsContact O-N 3.11Å; F390-F396 HydrophobicContact CB-CD2 4.11Å; F390-F396 HydrophobicContact CB-CE2 4.34Å; F390-F396 HydrophobicContact CD1-CD2 4.36Å; F390-F396 AromaticContact CD1-CE2 3.83Å; F390-F396 HydrophobicContact CD1-CE2 3.83Å; F390-F396 HydrophobicContact CD1-CZ 4.34Å; F390-F396 WeakPolarHBondContact O-CB 3.39Å; F390-F405 HydrophobicContact CB-CE2 4.2Å; F390-F405 HydrophobicContact CB-CZ 4.43Å; F390-F405 HydrophobicContact CD1-CE2 4.11Å; F390-F405 AromaticContact CD1-CZ 3.56Å; F390-F405 HydrophobicContact CD1-CZ 3.56Å; F390-F405 HydrophobicContact CD2-CZ 4.27Å; F390-F405 AromaticContact CE1-CZ 3.81Å; F390-F405 HydrophobicContact CE1-CZ 3.81Å; F390-F405 HydrophobicContact CE2-CZ 4.47Å; F390-F405 HydrophobicContact CG-CE2 4.08Å; F390-F405 AromaticContact CG-CZ 3.83Å; F390-F405 HydrophobicContact CG-CZ 3.83Å; F390-F405 HydrophobicContact CZ-CZ 4.27Å
391R94Very high92.5Very high108 Ų10882.3 Ų82.341%0.40840%0.402SS..Hα-helixtrans-59.8-23.2-179.6-71.7-168-176.6112.4-0.1114.9I387 E388 E393 L402I387-R391 HydrophobicContact CG2-CG 4.35Å; I387-R391 PolarHBondContact O-N 2.86Å; E388-R391 IonicContact OE2-CZ 2.77Å; E388-R391 IonicContact OE2-NH1 2.94Å; E388-R391 PolarHBondContact OE2-NH1 3.2Å; R391-E393 VanDerWaalsContact C-N 3.33Å; R391-L402 HydrophobicContact CG-CD2 4.09Å
392K91.8Very high92.4Very high139 Ų13978.4 Ų78.460%0.60439%0.387SS*.THydrogen-bonded Turntrans-77.4-22.7-179.4-68.6174.4-176.3-1760112.8E388 F390E388-K392 WeakPolarHBondContact O-CG 3.44Å; F390-K392 PolarHBondContact O-N 3.01Å; F390-K392 VanDerWaalsContact O-N 3.11Å
393E93.2Very high92.4Very high52 Ų5277.6 Ų77.624%0.24337%0.373CS..SBendtrans-81149.1-177.1-59.1-58.8150.100111.3A87 A88 F390 R391 V395 F396 R397A87-E393 HydrophobicContact CB-CB 3.61Å; A87-E393 HydrophobicContact CB-CG 3.66Å; A88-E393 HydrophobicContact CB-CG 4.32Å; F390-E393 PolarHBondContact O-N 2.85Å; F390-E393 VanDerWaalsContact O-N 3.11Å; R391-E393 VanDerWaalsContact C-N 3.33Å; E393-V395 VanDerWaalsContact C-N 3.31Å; E393-V395 HydrophobicContact CB-CG1 4.48Å; E393-V395 PolarHBondContact O-N 3.46Å; E393-F396 PolarHBondContact O-N 3.05Å; E393-R397 PolarHBondContact O-N 3.43Å; E393-R397 VanDerWaalsContact O-N 3.12Å
394E89.4Confident92.4Very high72 Ų7270.3 Ų70.334%0.33635%0.347SS..Hα-helixtrans-57.2-42.9-171.7-77165.5-16600112.4T91 K95 F396 R397T91-E394 HydrophobicContact CG2-CB 3.86Å; T91-E394 HydrophobicContact CG2-CG 4.15Å; T91-E394 WeakPolarHBondContact CG2-OE2 3.5Å; K95-E394 WeakPolarHBondContact CE-OE2 3.48Å; K95-E394 VanDerWaalsContact NZ-CD 3.29Å; K95-E394 IonicContact NZ-OE1 2.86Å; K95-E394 PolarHBondContact NZ-OE1 3.24Å; K95-E394 IonicContact NZ-OE2 2.96Å; K95-E394 PolarHBondContact NZ-OE2 3.39Å; K95-E394 VanDerWaalsContact NZ-OE2 3.14Å; E394-F396 PolarHBondContact O-N 3.2Å; E394-F396 VanDerWaalsContact O-N 3.09Å; E394-R397 WeakPolarHBondContact O-CB 3.39Å; E394-R397 PolarHBondContact O-N 2.89Å; E394-R397 IonicContact OE1-NH2 3.76Å
395V91.6Very high92.7Very high43 Ų4368.2 Ų68.226%0.26133%0.325SS..Hα-helixtrans-59.6-22.1179.368.10000114.4W86 A87 F90 E393W86-V395 HydrophobicContact CZ3-CG1 4.18Å; W86-V395 HydrophobicContact CZ3-CG2 4.41Å; A87-V395 HydrophobicContact CB-CG1 3.8Å; F90-V395 HydrophobicContact CD1-CB 4.28Å; F90-V395 HydrophobicContact CD1-CG2 4Å; F90-V395 HydrophobicContact CE1-CG2 4.14Å; E393-V395 VanDerWaalsContact C-N 3.31Å; E393-V395 HydrophobicContact CB-CG1 4.48Å; E393-V395 PolarHBondContact O-N 3.46Å
396F94.1Very high92.8Very high3 Ų369.7 Ų69.71%0.01333%0.334CS..Hα-helixtrans-110.9-3.9176.9-72.3-80.5000113.6W86 A87 L172 F390 E393 E394 D398 D399 L402 E404 F405W86-F396 HydrophobicContact CE3-CE2 4.29Å; W86-F396 HydrophobicContact CZ3-CE2 4.11Å; A87-F396 HydrophobicContact CB-CD2 3.68Å; A87-F396 HydrophobicContact CB-CE2 3.65Å; L172-F396 HydrophobicContact CD1-CE2 4.44Å; L172-F396 HydrophobicContact CD1-CZ 4.09Å; L172-F396 HydrophobicContact CD2-CZ 4.32Å; F390-F396 HydrophobicContact CB-CD2 4.11Å; F390-F396 HydrophobicContact CB-CE2 4.34Å; F390-F396 HydrophobicContact CD1-CD2 4.36Å; F390-F396 AromaticContact CD1-CE2 3.83Å; F390-F396 HydrophobicContact CD1-CE2 3.83Å; F390-F396 HydrophobicContact CD1-CZ 4.34Å; F390-F396 WeakPolarHBondContact O-CB 3.39Å; E393-F396 PolarHBondContact O-N 3.05Å; E394-F396 PolarHBondContact O-N 3.2Å; E394-F396 VanDerWaalsContact O-N 3.09Å; F396-D398 VanDerWaalsContact C-N 3.33Å; F396-D398 PolarHBondContact O-N 2.93Å; F396-D399 PolarHBondContact O-N 3.4Å; F396-D399 VanDerWaalsContact O-N 3.09Å; F396-L402 HydrophobicContact CB-CD2 4.38Å; F396-L402 HydrophobicContact CD1-CD2 3.54Å; F396-L402 HydrophobicContact CE1-CD2 4.16Å; F396-L402 HydrophobicContact CG-CD2 4.24Å; F396-E404 HydrophobicContact CD1-CB 4.47Å; F396-E404 HydrophobicContact CE1-CB 3.71Å; F396-E404 HydrophobicContact CE1-CG 4.09Å; F396-E404 HydrophobicContact CZ-CB 4.15Å; F396-E404 HydrophobicContact CZ-CG 3.99Å; F396-F405 AromaticContact CE1-CD2 3.77Å; F396-F405 HydrophobicContact CE1-CD2 3.77Å; F396-F405 AromaticContact CE1-CE2 3.83Å; F396-F405 HydrophobicContact CE1-CE2 3.83Å; F396-F405 HydrophobicContact CE1-CG 4.42Å; F396-F405 HydrophobicContact CZ-CD2 4.14Å; F396-F405 AromaticContact CZ-CE2 3.86Å; F396-F405 HydrophobicContact CZ-CE2 3.86Å; F396-F405 HydrophobicContact CZ-CZ 4.13Å
397R88.5Confident93Very high146 Ų14669.3 Ų69.355%0.55134%0.336SS*.Hα-helixtrans-61.3-41.9-173.4-173.8-179.1-64.3154.52.2112.1E393 E394 D399E393-R397 PolarHBondContact O-N 3.43Å; E393-R397 VanDerWaalsContact O-N 3.12Å; E394-R397 WeakPolarHBondContact O-CB 3.39Å; E394-R397 PolarHBondContact O-N 2.89Å; E394-R397 IonicContact OE1-NH2 3.76Å; R397-D399 VanDerWaalsContact C-N 3.35Å
398D88Confident93.2Very high155 Ų15569.2 Ų69.283%0.82934%0.335SS*.THydrogen-bonded Turntrans-95.612.4178.5-61-35.8000112.7F396 P400F396-D398 VanDerWaalsContact C-N 3.33Å; F396-D398 PolarHBondContact O-N 2.93Å; D398-P400 VanDerWaalsContact O-CD 3.23Å; D398-P400 WeakPolarHBondContact O-CD 3.44Å
399D91.4Very high93.5Very high19 Ų1968.2 Ų68.210%0.10233%0.327CS..  trans-117.168.8178.6-174.715.8000111.5F396 R397 E401 L402 K403 E404F396-D399 PolarHBondContact O-N 3.4Å; F396-D399 VanDerWaalsContact O-N 3.09Å; R397-D399 VanDerWaalsContact C-N 3.35Å; D399-E401 PolarHBondContact O-N 2.81Å; D399-L402 PolarHBondContact O-N 3.03Å; D399-L402 WeakPolarHBondContact OD1-CA 3.5Å; D399-L402 PolarHBondContact OD1-N 2.89Å; D399-L402 VanDerWaalsContact OD1-N 3.12Å; D399-L402 VanDerWaalsContact OD2-CA 3.25Å; D399-L402 WeakPolarHBondContact OD2-CA 3.33Å; D399-K403 WeakPolarHBondContact OD1-CB 3.38Å; D399-K403 WeakPolarHBondContact OD1-CG 3.33Å; D399-K403 PolarHBondContact OD1-N 3.38Å; D399-K403 PolarHBondContact OD2-N 3.21Å; D399-E404 PolarHBondContact OD2-N 3.23Å
400P88.1Confident93.8Very high109 Ų10968.3 Ų68.371%0.70833%0.328SS*.THydrogen-bonded Turntrans-63.9-27.7-175.126.1-35.3000113.2D398 L402D398-P400 VanDerWaalsContact O-CD 3.23Å; D398-P400 WeakPolarHBondContact O-CD 3.44Å; P400-L402 VanDerWaalsContact C-N 3.28Å
401E91.6Very high93.9Very high133 Ų13369.7 Ų69.762%0.62134%0.336SS*.THydrogen-bonded Turntrans-81.8-9.6176.9-69.8178.7-178.200112.6D399 K403D399-E401 PolarHBondContact O-N 2.81Å; E401-K403 VanDerWaalsContact C-N 3.3Å; E401-K403 HydrophobicContact CB-CG 4.06Å; E401-K403 WeakPolarHBondContact OE2-CE 3.12Å; E401-K403 IonicContact OE2-NZ 2.76Å
402L94.2Very high94.1Very high2 Ų264.5 Ų64.51%0.0132%0.317CS..  trans56.844.1-174.6-58.6172.2000111.9I387 R391 F396 D399 P400 E404 F405 S406I387-L402 HydrophobicContact CG2-CD1 3.41Å; I387-L402 VanDerWaalsContact CG2-CD1 3.41Å; R391-L402 HydrophobicContact CG-CD2 4.09Å; F396-L402 HydrophobicContact CB-CD2 4.38Å; F396-L402 HydrophobicContact CD1-CD2 3.54Å; F396-L402 HydrophobicContact CE1-CD2 4.16Å; F396-L402 HydrophobicContact CG-CD2 4.24Å; D399-L402 PolarHBondContact O-N 3.03Å; D399-L402 WeakPolarHBondContact OD1-CA 3.5Å; D399-L402 PolarHBondContact OD1-N 2.89Å; D399-L402 VanDerWaalsContact OD1-N 3.12Å; D399-L402 VanDerWaalsContact OD2-CA 3.25Å; D399-L402 WeakPolarHBondContact OD2-CA 3.33Å; P400-L402 VanDerWaalsContact C-N 3.28Å; L402-E404 PolarHBondContact O-N 3.01Å; L402-F405 HydrophobicContact CB-CD2 4.03Å; L402-F405 HydrophobicContact CD1-CD2 4.39Å; L402-F405 HydrophobicContact CD2-CD2 4.44Å; L402-F405 WeakPolarHBondContact O-CB 3.39Å; L402-F405 PolarHBondContact O-N 3.16Å; L402-S406 PolarHBondContact O-N 2.8Å
403K95.3Very high94.4Very high110 Ų11060.9 Ų60.948%0.47830%0.302SS..Hα-helixtrans-52.6-37.5177.5-68178.8-178.4175.90112.1D399 E401 F405 S406 D407D399-K403 WeakPolarHBondContact OD1-CB 3.38Å; D399-K403 WeakPolarHBondContact OD1-CG 3.33Å; D399-K403 PolarHBondContact OD1-N 3.38Å; D399-K403 PolarHBondContact OD2-N 3.21Å; E401-K403 VanDerWaalsContact C-N 3.3Å; E401-K403 HydrophobicContact CB-CG 4.06Å; E401-K403 WeakPolarHBondContact OE2-CE 3.12Å; E401-K403 IonicContact OE2-NZ 2.76Å; K403-F405 PolarHBondContact O-N 3.16Å; K403-S406 VanDerWaalsContact CA-OG 3.29Å; K403-S406 WeakPolarHBondContact CA-OG 3.49Å; K403-S406 PolarHBondContact O-N 3.04Å; K403-S406 PolarHBondContact O-OG 3.42Å; K403-D407 WeakPolarHBondContact O-CB 3.25Å; K403-D407 VanDerWaalsContact O-CG 3.24Å; K403-D407 PolarHBondContact O-N 2.78Å
404E96.1Very high94.6Very high30 Ų3059.7 Ų59.714%0.1430%0.297CS..Hα-helixtrans-59.2-33.9179.2177.550.9-136.900112.2L172 K175 R176 F396 D399 L402 S408L172-E404 HydrophobicContact CD2-CG 3.9Å; K175-E404 VanDerWaalsContact NZ-CD 3.26Å; K175-E404 IonicContact NZ-OE1 3.83Å; K175-E404 PolarHBondContact NZ-OE1 2.99Å; K175-E404 IonicContact NZ-OE2 3.69Å; K175-E404 PolarHBondContact NZ-OE2 2.71Å; R176-E404 IonicContact CZ-OE1 3.72Å; R176-E404 IonicContact NH1-OE1 3.98Å; R176-E404 PolarHBondContact NH1-OE1 3.25Å; R176-E404 IonicContact NH2-OE1 3.14Å; R176-E404 PolarHBondContact NH2-OE1 3.28Å; R176-E404 IonicContact NH2-OE2 3.1Å; F396-E404 HydrophobicContact CD1-CB 4.47Å; F396-E404 HydrophobicContact CE1-CB 3.71Å; F396-E404 HydrophobicContact CE1-CG 4.09Å; F396-E404 HydrophobicContact CZ-CB 4.15Å; F396-E404 HydrophobicContact CZ-CG 3.99Å; D399-E404 PolarHBondContact OD2-N 3.23Å; L402-E404 PolarHBondContact O-N 3.01Å; E404-S408 VanDerWaalsContact O-CB 3.25Å; E404-S408 WeakPolarHBondContact O-CB 3.24Å; E404-S408 PolarHBondContact O-N 3.03Å; E404-S408 PolarHBondContact O-OG 3.47Å; E404-S408 PolarHBondContact OE1-OG 2.77Å
405F97.8Very high94.9Very high0 Ų056.3 Ų56.30%028%0.281CS..Hα-helixtrans-71.4-44.1173.1-83.4-56.3000112.6Y168 L171 L172 Y377 I387 F390 F396 L402 K403 D407 S408 R409Y168-F405 HydrophobicContact CD1-CD1 4.16Å; Y168-F405 AromaticContact CD1-CE1 3.51Å; Y168-F405 HydrophobicContact CD1-CE1 3.51Å; Y168-F405 AromaticContact CD1-CZ 3.75Å; Y168-F405 HydrophobicContact CD1-CZ 3.75Å; Y168-F405 HydrophobicContact CE1-CE1 4.47Å; Y168-F405 AromaticContact CG-CE1 3.93Å; Y168-F405 HydrophobicContact CG-CE1 3.93Å; Y168-F405 AromaticContact CG-CZ 3.97Å; Y168-F405 HydrophobicContact CG-CZ 3.97Å; L171-F405 HydrophobicContact CD2-CD1 4.39Å; L172-F405 HydrophobicContact CD1-CD1 4.18Å; L172-F405 HydrophobicContact CD1-CE1 3.47Å; L172-F405 VanDerWaalsContact CD1-CE1 3.47Å; L172-F405 HydrophobicContact CD1-CZ 3.91Å; L172-F405 HydrophobicContact CD2-CD1 3.72Å; L172-F405 HydrophobicContact CD2-CE1 3.9Å; L172-F405 HydrophobicContact CD2-CG 4.46Å; L172-F405 HydrophobicContact CG-CD1 3.95Å; L172-F405 HydrophobicContact CG-CE1 3.67Å; Y377-F405 HydrophobicContact CE2-CB 4.39Å; Y377-F405 AromaticContact CE2-CD1 3.74Å; Y377-F405 HydrophobicContact CE2-CD1 3.74Å; Y377-F405 HydrophobicContact CE2-CE1 4.32Å; Y377-F405 HydrophobicContact CE2-CG 4.25Å; Y377-F405 WeakPolarHBondContact OH-CB 3.23Å; I387-F405 HydrophobicContact CD1-CE2 4.05Å; F390-F405 HydrophobicContact CB-CE2 4.2Å; F390-F405 HydrophobicContact CB-CZ 4.43Å; F390-F405 HydrophobicContact CD1-CE2 4.11Å; F390-F405 AromaticContact CD1-CZ 3.56Å; F390-F405 HydrophobicContact CD1-CZ 3.56Å; F390-F405 HydrophobicContact CD2-CZ 4.27Å; F390-F405 AromaticContact CE1-CZ 3.81Å; F390-F405 HydrophobicContact CE1-CZ 3.81Å; F390-F405 HydrophobicContact CE2-CZ 4.47Å; F390-F405 HydrophobicContact CG-CE2 4.08Å; F390-F405 AromaticContact CG-CZ 3.83Å; F390-F405 HydrophobicContact CG-CZ 3.83Å; F390-F405 HydrophobicContact CZ-CZ 4.27Å; F396-F405 AromaticContact CE1-CD2 3.77Å; F396-F405 HydrophobicContact CE1-CD2 3.77Å; F396-F405 AromaticContact CE1-CE2 3.83Å; F396-F405 HydrophobicContact CE1-CE2 3.83Å; F396-F405 HydrophobicContact CE1-CG 4.42Å; F396-F405 HydrophobicContact CZ-CD2 4.14Å; F396-F405 AromaticContact CZ-CE2 3.86Å; F396-F405 HydrophobicContact CZ-CE2 3.86Å; F396-F405 HydrophobicContact CZ-CZ 4.13Å; L402-F405 HydrophobicContact CB-CD2 4.03Å; L402-F405 HydrophobicContact CD1-CD2 4.39Å; L402-F405 HydrophobicContact CD2-CD2 4.44Å; L402-F405 WeakPolarHBondContact O-CB 3.39Å; L402-F405 PolarHBondContact O-N 3.16Å; K403-F405 PolarHBondContact O-N 3.16Å; F405-D407 VanDerWaalsContact C-N 3.35Å; F405-S408 PolarHBondContact O-N 3.05Å; F405-R409 VanDerWaalsContact O-CB 3.29Å; F405-R409 WeakPolarHBondContact O-CB 3.35Å; F405-R409 PolarHBondContact O-N 2.94Å
406S97Very high95.2Very high57 Ų5754.8 Ų54.840%0.39927%0.272SS..Hα-helixtrans-66.7-37.5178.648.30000112.3L402 K403 R409 Q410L402-S406 PolarHBondContact O-N 2.8Å; K403-S406 VanDerWaalsContact CA-OG 3.29Å; K403-S406 WeakPolarHBondContact CA-OG 3.49Å; K403-S406 PolarHBondContact O-N 3.04Å; K403-S406 PolarHBondContact O-OG 3.42Å; S406-R409 WeakPolarHBondContact O-CB 3.32Å; S406-R409 PolarHBondContact O-N 2.76Å; S406-Q410 WeakPolarHBondContact O-CB 3.37Å; S406-Q410 PolarHBondContact O-N 2.92Å
407D97.7Very high95.2Very high84 Ų8458.2 Ų58.245%0.44929%0.288SS..Hα-helixtrans-66.9-45.4177-69.6-5.4000110.3K403 F405 R409 Q410 V411K403-D407 WeakPolarHBondContact O-CB 3.25Å; K403-D407 VanDerWaalsContact O-CG 3.24Å; K403-D407 PolarHBondContact O-N 2.78Å; F405-D407 VanDerWaalsContact C-N 3.35Å; D407-R409 VanDerWaalsContact C-N 3.32Å; D407-R409 PolarHBondContact O-N 2.67Å; D407-Q410 PolarHBondContact O-N 3.33Å; D407-V411 WeakPolarHBondContact O-CG2 3.5Å; D407-V411 PolarHBondContact O-N 2.84Å
408S98.4Very high95.6Very high0 Ų051.8 Ų51.80%026%0.264CS..Hα-helixtrans-60.2-43.5174.1-640000111.8L172 K175 E404 F405 Q410 V411 V412L172-S408 WeakPolarHBondContact CD2-OG 3.12Å; K175-S408 WeakPolarHBondContact CD-OG 3.36Å; E404-S408 VanDerWaalsContact O-CB 3.25Å; E404-S408 WeakPolarHBondContact O-CB 3.24Å; E404-S408 PolarHBondContact O-N 3.03Å; E404-S408 PolarHBondContact O-OG 3.47Å; E404-S408 PolarHBondContact OE1-OG 2.77Å; F405-S408 PolarHBondContact O-N 3.05Å; S408-Q410 VanDerWaalsContact C-N 3.31Å; S408-Q410 PolarHBondContact O-N 2.88Å; S408-V411 PolarHBondContact O-N 3.29Å; S408-V412 WeakPolarHBondContact O-CG2 3.29Å; S408-V412 PolarHBondContact O-N 2.95Å
409R98.4Very high95.9Very high81 Ų8144.4 Ų44.431%0.30622%0.224SC..Hα-helixtrans-56.9-45.3174-166-165.3179.7-88.5-6.1111.5L171 L374 Y377 D378 F405 S406 D407 V412 H413L171-R409 HydrophobicContact CD2-CB 4.15Å; L374-R409 HydrophobicContact CD1-CG 3.46Å; L374-R409 VanDerWaalsContact CD1-CG 3.46Å; Y377-R409 HydrophobicContact CD1-CG 4.36Å; Y377-R409 HydrophobicContact CE1-CB 4.26Å; Y377-R409 HydrophobicContact CE1-CG 3.93Å; D378-R409 IonicContact OD1-CZ 2.83Å; D378-R409 IonicContact OD1-NE 2.76Å; D378-R409 PolarHBondContact OD1-NE 2.71Å; D378-R409 IonicContact OD1-NH2 3.83Å; D378-R409 PolarHBondContact OD1-NH2 3.1Å; D378-R409 IonicContact OD2-CZ 3.4Å; D378-R409 IonicContact OD2-NE 2.87Å; D378-R409 IonicContact OD2-NH2 2.96Å; D378-R409 PolarHBondContact OD2-NH2 3.23Å; F405-R409 VanDerWaalsContact O-CB 3.29Å; F405-R409 WeakPolarHBondContact O-CB 3.35Å; F405-R409 PolarHBondContact O-N 2.94Å; S406-R409 WeakPolarHBondContact O-CB 3.32Å; S406-R409 PolarHBondContact O-N 2.76Å; D407-R409 VanDerWaalsContact C-N 3.32Å; D407-R409 PolarHBondContact O-N 2.67Å; R409-V412 PolarHBondContact O-N 3.47Å; R409-H413 WeakPolarHBondContact O-CB 3.44Å; R409-H413 PolarHBondContact O-N 3.04Å
410Q98.1Very high96.1Very high92 Ų9245.5 Ų45.543%0.4323%0.234SC..Hα-helixtrans-67.4-40.3-179.5-172.26053.900112.3S406 D407 S408 H413 N414S406-Q410 WeakPolarHBondContact O-CB 3.37Å; S406-Q410 PolarHBondContact O-N 2.92Å; D407-Q410 PolarHBondContact O-N 3.33Å; S408-Q410 VanDerWaalsContact C-N 3.31Å; S408-Q410 PolarHBondContact O-N 2.88Å; Q410-H413 PolarHBondContact O-N 3.36Å; Q410-N414 PolarHBondContact NE2-OD1 3.17Å; Q410-N414 WeakPolarHBondContact O-CB 3.25Å; Q410-N414 PolarHBondContact O-N 3.43Å; Q410-N414 PolarHBondContact O-ND2 2.82Å
411V98.1Very high96.4Very high28 Ų2840.4 Ų40.417%0.1720%0.2CC..Hα-helixtrans-61.2-48175.7171.10000110.7K175 T178 L179 D407 S408 H413 N414 L415K175-V411 HydrophobicContact CB-CB 4.5Å; K175-V411 HydrophobicContact CB-CG1 4.41Å; K175-V411 HydrophobicContact CG-CB 4.33Å; K175-V411 HydrophobicContact CG-CG1 4.32Å; K175-V411 HydrophobicContact CG-CG2 4.23Å; T178-V411 HydrophobicContact CG2-CG1 3.87Å; L179-V411 HydrophobicContact CD1-CG2 4.4Å; L179-V411 HydrophobicContact CD2-CG1 4.48Å; L179-V411 HydrophobicContact CG-CG1 4.35Å; D407-V411 WeakPolarHBondContact O-CG2 3.5Å; D407-V411 PolarHBondContact O-N 2.84Å; S408-V411 PolarHBondContact O-N 3.29Å; V411-H413 VanDerWaalsContact C-N 3.35Å; V411-H413 PolarHBondContact O-N 3.4Å; V411-N414 PolarHBondContact O-N 3.43Å; V411-L415 PolarHBondContact O-N 3.11Å
412V98.3Very high96.6Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-66-37.8178.5176.70000111.6L171 L174 F370 S408 R409 L415 I416L171-V412 HydrophobicContact CD1-CB 4.02Å; L171-V412 HydrophobicContact CD1-CG1 4.44Å; L171-V412 HydrophobicContact CD1-CG2 3.79Å; L174-V412 HydrophobicContact CB-CG2 3.61Å; L174-V412 HydrophobicContact CD1-CG1 4.36Å; L174-V412 HydrophobicContact CD1-CG2 4.3Å; F370-V412 HydrophobicContact CB-CG1 4.01Å; S408-V412 WeakPolarHBondContact O-CG2 3.29Å; S408-V412 PolarHBondContact O-N 2.95Å; R409-V412 PolarHBondContact O-N 3.47Å; V412-L415 WeakPolarHBondContact O-CB 3.14Å; V412-L415 PolarHBondContact O-N 2.93Å; V412-I416 HydrophobicContact CG1-CD1 4.11Å; V412-I416 WeakPolarHBondContact O-CD1 3.33Å; V412-I416 WeakPolarHBondContact O-CG1 3.31Å; V412-I416 PolarHBondContact O-N 3.12Å
413H98.1Very high96.7Very high62 Ų6235.5 Ų35.529%0.28718%0.18SC..Hα-helixtrans-60.6-48172.8-176.5-89.5000112R409 Q410 V411 L415 I416 E417R409-H413 WeakPolarHBondContact O-CB 3.44Å; R409-H413 PolarHBondContact O-N 3.04Å; Q410-H413 PolarHBondContact O-N 3.36Å; V411-H413 VanDerWaalsContact C-N 3.35Å; V411-H413 PolarHBondContact O-N 3.4Å; H413-L415 VanDerWaalsContact C-N 3.25Å; H413-L415 PolarHBondContact O-N 3.45Å; H413-I416 WeakPolarHBondContact O-CB 3.38Å; H413-I416 PolarHBondContact O-N 2.88Å; H413-I416 VanDerWaalsContact O-N 3.13Å; H413-E417 VanDerWaalsContact CE1-CD 3.47Å; H413-E417 IonicContact CE1-OE1 3Å; H413-E417 PolarHBondContact CE1-OE1 2.81Å; H413-E417 IonicContact ND1-OE1 3.58Å; H413-E417 WeakPolarHBondContact O-CG 3.34Å; H413-E417 PolarHBondContact O-N 3.33Å
414N96.6Very high96.7Very high28 Ų2835.2 Ų35.215%0.1518%0.176CC..Hα-helixtrans-60-37.5176.7-69.1-26.3000111.8Q410 V411 E417 E418 R434Q410-N414 PolarHBondContact NE2-OD1 3.17Å; Q410-N414 WeakPolarHBondContact O-CB 3.25Å; Q410-N414 PolarHBondContact O-N 3.43Å; Q410-N414 PolarHBondContact O-ND2 2.82Å; V411-N414 PolarHBondContact O-N 3.43Å; N414-E417 PolarHBondContact O-N 2.96Å; N414-E418 WeakPolarHBondContact O-CB 3.37Å; N414-E418 PolarHBondContact O-N 3.39Å; N414-R434 VanDerWaalsContact CG-NH2 3.32Å; N414-R434 PolarHBondContact OD1-NH2 3.05Å
415L96.7Very high96.6Very high0 Ų038.4 Ų38.40%020%0.201CC..Hα-helixtrans-61.7-44.5175.1-176.966.6000111.5T178 R247 F250 F370 V411 V412 H413 E418 H419T178-L415 HydrophobicContact CG2-CD1 4.12Å; T178-L415 HydrophobicContact CG2-CD2 4.46Å; R247-L415 HydrophobicContact CB-CD1 4.25Å; R247-L415 WeakPolarHBondContact O-CD1 3.43Å; F250-L415 HydrophobicContact CD2-CD1 4.5Å; F250-L415 HydrophobicContact CD2-CD2 4.25Å; F250-L415 HydrophobicContact CE2-CD1 4.23Å; F250-L415 HydrophobicContact CE2-CD2 3.65Å; F250-L415 HydrophobicContact CZ-CD2 4.12Å; F370-L415 HydrophobicContact CD2-CD2 3.55Å; F370-L415 HydrophobicContact CD2-CG 3.91Å; F370-L415 HydrophobicContact CE1-CD2 4.41Å; F370-L415 HydrophobicContact CE2-CD2 3.44Å; F370-L415 VanDerWaalsContact CE2-CD2 3.44Å; F370-L415 HydrophobicContact CE2-CG 3.86Å; F370-L415 HydrophobicContact CG-CD2 4.14Å; F370-L415 HydrophobicContact CZ-CD2 3.91Å; V411-L415 PolarHBondContact O-N 3.11Å; V412-L415 WeakPolarHBondContact O-CB 3.14Å; V412-L415 PolarHBondContact O-N 2.93Å; H413-L415 VanDerWaalsContact C-N 3.25Å; H413-L415 PolarHBondContact O-N 3.45Å; L415-E418 PolarHBondContact O-N 3.3Å; L415-H419 PolarHBondContact O-N 2.87Å; L415-H419 PolarHBondContact O-ND1 3.49Å
416I96.5Very high96.5Very high12 Ų1241.5 Ų41.56%0.06222%0.218CC..Hα-helixtrans-63.4-45176.5-68158.5000111.2F370 L371 L374 V412 H413 E418 H419 S420F370-I416 HydrophobicContact CB-CD1 3.87Å; F370-I416 HydrophobicContact CB-CG1 3.63Å; F370-I416 HydrophobicContact CD2-CG1 4.37Å; L371-I416 HydrophobicContact CD1-CG2 4.16Å; L371-I416 HydrophobicContact CD2-CD1 3.96Å; L371-I416 HydrophobicContact CD2-CG2 3.76Å; L371-I416 HydrophobicContact CG-CD1 3.96Å; L371-I416 HydrophobicContact CG-CG1 4.19Å; L371-I416 HydrophobicContact CG-CG2 3.77Å; L374-I416 HydrophobicContact CD2-CD1 3.97Å; V412-I416 HydrophobicContact CG1-CD1 4.11Å; V412-I416 WeakPolarHBondContact O-CD1 3.33Å; V412-I416 WeakPolarHBondContact O-CG1 3.31Å; V412-I416 PolarHBondContact O-N 3.12Å; H413-I416 WeakPolarHBondContact O-CB 3.38Å; H413-I416 PolarHBondContact O-N 2.88Å; H413-I416 VanDerWaalsContact O-N 3.13Å; I416-E418 VanDerWaalsContact C-N 3.28Å; I416-E418 PolarHBondContact O-N 3.08Å; I416-H419 PolarHBondContact O-N 2.97Å; I416-S420 WeakPolarHBondContact O-CB 3.11Å; I416-S420 PolarHBondContact O-N 3.16Å; I416-S420 PolarHBondContact O-OG 3.32Å
417E95.5Very high96.4Very high75 Ų7539.1 Ų39.135%0.3520%0.2SC..Hα-helixtrans-59.2-41.7176.1-72.9-176.1148.900111.5H413 N414 S420 A421 W430 R434H413-E417 VanDerWaalsContact CE1-CD 3.47Å; H413-E417 IonicContact CE1-OE1 3Å; H413-E417 PolarHBondContact CE1-OE1 2.81Å; H413-E417 IonicContact ND1-OE1 3.58Å; H413-E417 WeakPolarHBondContact O-CG 3.34Å; H413-E417 PolarHBondContact O-N 3.33Å; N414-E417 PolarHBondContact O-N 2.96Å; E417-S420 WeakPolarHBondContact O-CB 3.32Å; E417-S420 PolarHBondContact O-N 3.18Å; E417-A421 WeakPolarHBondContact O-CB 3.4Å; E417-A421 PolarHBondContact O-N 3.15Å; E417-W430 HydrophobicContact CB-CZ2 4.32Å; E417-R434 IonicContact OE2-CZ 3.94Å; E417-R434 IonicContact OE2-NH1 2.89Å; E417-R434 PolarHBondContact OE2-NH1 3.06Å; E417-R434 IonicContact OE2-NH2 3.62Å
418E95.6Very high96.1Very high10 Ų1039.9 Ų39.95%0.04720%0.203CC..Hα-helixtrans-65-44.5178.7-174157.4175.900112.3T245 R247 L248 N414 L415 I416 S420 A421 A422 Y427 W430T245-E418 PolarHBondContact OG1-OE1 3.47Å; R247-E418 WeakPolarHBondContact CB-OE2 3.43Å; R247-E418 IonicContact CZ-OE2 3.47Å; R247-E418 IonicContact NE-OE2 2.71Å; R247-E418 PolarHBondContact NE-OE2 3.33Å; R247-E418 IonicContact NH2-OE2 3.87Å; R247-E418 PolarHBondContact NH2-OE2 3.12Å; L248-E418 HydrophobicContact CD2-CG 4.17Å; L248-E418 HydrophobicContact CG-CG 4.42Å; N414-E418 WeakPolarHBondContact O-CB 3.37Å; N414-E418 PolarHBondContact O-N 3.39Å; L415-E418 PolarHBondContact O-N 3.3Å; I416-E418 VanDerWaalsContact C-N 3.28Å; I416-E418 PolarHBondContact O-N 3.08Å; E418-S420 PolarHBondContact O-N 3.32Å; E418-A421 PolarHBondContact O-N 3.19Å; E418-A422 WeakPolarHBondContact O-CB 3.01Å; E418-A422 PolarHBondContact O-N 3.08Å; E418-Y427 HydrophobicContact CG-CE2 3.92Å; E418-Y427 PolarHBondContact OE1-OH 3.26Å; E418-W430 VanDerWaalsContact CA-CH2 3.5Å; E418-W430 HydrophobicContact CB-CH2 3.7Å; E418-W430 HydrophobicContact CB-CZ3 4.04Å; E418-W430 HydrophobicContact CG-CH2 3.98Å; E418-W430 HydrophobicContact CG-CZ3 3.77Å
419H95.6Very high95.8Very high0 Ų046.4 Ų46.40%023%0.233CC..Hα-helixtrans-61.4-36.3174.5-76.274.5000111.9T364 I366 F370 L415 I416T364-H419 WeakPolarHBondContact CG2-O 3.14Å; I366-H419 WeakPolarHBondContact CG2-NE2 3.43Å; F370-H419 AromaticContact CE2-CE1 3.81Å; L415-H419 PolarHBondContact O-N 2.87Å; L415-H419 PolarHBondContact O-ND1 3.49Å; I416-H419 PolarHBondContact O-N 2.97Å
420S94.8Very high95.6Very high43 Ų4344.3 Ų44.330%0.30123%0.226SC..Hα-helixtrans-68.5-44.6175.6-57.40000111.2I416 E417 E418 A422 T423I416-S420 WeakPolarHBondContact O-CB 3.11Å; I416-S420 PolarHBondContact O-N 3.16Å; I416-S420 PolarHBondContact O-OG 3.32Å; E417-S420 WeakPolarHBondContact O-CB 3.32Å; E417-S420 PolarHBondContact O-N 3.18Å; E418-S420 PolarHBondContact O-N 3.32Å; S420-A422 VanDerWaalsContact C-N 3.32Å; S420-A422 PolarHBondContact O-N 2.89Å; S420-T423 PolarHBondContact O-N 3.37Å; S420-T423 PolarHBondContact O-OG1 2.9Å
421A95.5Very high95.2Very high1 Ų141.2 Ų41.21%0.00822%0.218CC..Hα-helixtrans-63.1-37.6176.300000111.9E417 E418 T423 R424 Y427 W430E417-A421 WeakPolarHBondContact O-CB 3.4Å; E417-A421 PolarHBondContact O-N 3.15Å; E418-A421 PolarHBondContact O-N 3.19Å; A421-T423 PolarHBondContact O-N 2.83Å; A421-T423 VanDerWaalsContact O-N 3.12Å; A421-R424 WeakPolarHBondContact O-CB 3.29Å; A421-R424 PolarHBondContact O-N 3.42Å; A421-Y427 HydrophobicContact CB-CD2 3.97Å; A421-Y427 HydrophobicContact CB-CE2 4.49Å; A421-W430 HydrophobicContact CB-CD2 3.47Å; A421-W430 VanDerWaalsContact CB-CD2 3.47Å; A421-W430 HydrophobicContact CB-CE3 3.77Å; A421-W430 HydrophobicContact CB-CG 3.87Å; A421-W430 HydrophobicContact CB-CH2 4.27Å; A421-W430 HydrophobicContact CB-CZ2 3.97Å; A421-W430 HydrophobicContact CB-CZ3 4.19Å
422A95.5Very high94.7Very high0 Ų042.9 Ų42.90%024%0.235CC..Hα-helixtrans-61-20.3177.600000113.5L248 W333 T364 E418 S420 R424 Y427L248-A422 HydrophobicContact CD1-CB 3.99Å; W333-A422 HydrophobicContact CZ2-CB 4.42Å; W333-A422 PolarHBondContact NE1-O 3.42Å; T364-A422 HydrophobicContact CG2-CB 4.01Å; E418-A422 WeakPolarHBondContact O-CB 3.01Å; E418-A422 PolarHBondContact O-N 3.08Å; S420-A422 VanDerWaalsContact C-N 3.32Å; S420-A422 PolarHBondContact O-N 2.89Å; A422-R424 PolarHBondContact O-N 2.88Å; A422-Y427 HydrophobicContact CB-CD2 4.07Å; A422-Y427 HydrophobicContact CB-CE2 4.06Å; A422-Y427 HydrophobicContact CB-CG 4.43Å
423T95.6Very high94.3Very high33 Ų3349.5 Ų49.520%0.20227%0.266CS..THydrogen-bonded Turntrans-72.9-14.4173.670.30000113.9T364 S420 A421T364-T423 HydrophobicContact CG2-CG2 4Å; S420-T423 PolarHBondContact O-N 3.37Å; S420-T423 PolarHBondContact O-OG1 2.9Å; A421-T423 PolarHBondContact O-N 2.83Å; A421-T423 VanDerWaalsContact O-N 3.12Å
424R95.3Very high93.8Very high104 Ų10449.5 Ų49.539%0.39226%0.263SS..SBendtrans-106.3152.7-171.6-53.6-168-54.3-115.6-0.8112.1P332 W333 A421 A422 D426 Y427P332-R424 VanDerWaalsContact CG-C 3.46Å; W333-R424 VanDerWaalsContact CD1-O 3.25Å; A421-R424 WeakPolarHBondContact O-CB 3.29Å; A421-R424 PolarHBondContact O-N 3.42Å; A422-R424 PolarHBondContact O-N 2.88Å; R424-D426 WeakPolarHBondContact CB-OD1 3.26Å; R424-D426 IonicContact CZ-OD1 2.67Å; R424-D426 IonicContact NE-OD1 3.53Å; R424-D426 PolarHBondContact NE-OD1 2.85Å; R424-D426 IonicContact NE-OD2 2.76Å; R424-D426 IonicContact NH2-OD1 3.53Å; R424-D426 IonicContact NH2-OD2 3.1Å; R424-D426 PolarHBondContact O-N 3.36Å; R424-Y427 PolarHBondContact O-N 3.18Å
425S94.5Very high93.2Very high96 Ų9651.2 Ų51.267%0.67128%0.281SS*.THydrogen-bonded Turntrans-65.7-21.4179.553.70000114.1Y427S425-Y427 VanDerWaalsContact C-N 3.32Å
426D94.6Very high92.7Very high65 Ų6554.1 Ų54.135%0.34831%0.306SS..THydrogen-bonded Turntrans-87.45.8-179.370.5-37.7000113.8R424 I428 H429 W430R424-D426 WeakPolarHBondContact CB-OD1 3.26Å; R424-D426 IonicContact CZ-OD1 2.67Å; R424-D426 IonicContact NE-OD1 3.53Å; R424-D426 PolarHBondContact NE-OD1 2.85Å; R424-D426 IonicContact NE-OD2 2.76Å; R424-D426 IonicContact NH2-OD1 3.53Å; R424-D426 IonicContact NH2-OD2 3.1Å; R424-D426 PolarHBondContact O-N 3.36Å; D426-I428 VanDerWaalsContact C-N 3.32Å; D426-I428 PolarHBondContact O-N 2.91Å; D426-H429 WeakPolarHBondContact O-CB 3.45Å; D426-H429 PolarHBondContact O-N 3.26Å; D426-W430 PolarHBondContact O-N 3Å
427Y95Very high92.2Very high8 Ų856.2 Ų56.23%0.03132%0.324CS..Hα-helixtrans-51.2-44.4-174.7175.4-113.9000114.2T245 L248 W333 E418 A421 A422 R424 S425 H429 W430 G431T245-Y427 HydrophobicContact CG2-CE1 4.17Å; T245-Y427 WeakPolarHBondContact CG2-OH 3.46Å; T245-Y427 PolarHBondContact OG1-OH 2.97Å; L248-Y427 HydrophobicContact CD1-CE1 4.5Å; L248-Y427 WeakPolarHBondContact CD1-OH 3.25Å; W333-Y427 VanDerWaalsContact CD1-CB 3.48Å; W333-Y427 AromaticContact CD2-CD1 3.66Å; W333-Y427 HydrophobicContact CD2-CD1 3.66Å; W333-Y427 HydrophobicContact CD2-CE1 4.47Å; W333-Y427 HydrophobicContact CD2-CG 4.42Å; W333-Y427 AromaticContact CE2-CD1 3.26Å; W333-Y427 AromaticContact CE2-CE1 3.92Å; W333-Y427 AromaticContact CE2-CG 3.9Å; W333-Y427 HydrophobicContact CE3-CD1 4.14Å; W333-Y427 HydrophobicContact CG-CD1 4.18Å; W333-Y427 AromaticContact CH2-CD1 3.91Å; W333-Y427 HydrophobicContact CH2-CD1 3.91Å; W333-Y427 AromaticContact CH2-CE1 3.75Å; W333-Y427 HydrophobicContact CH2-CE1 3.75Å; W333-Y427 AromaticContact CZ2-CD1 3.41Å; W333-Y427 HydrophobicContact CZ2-CD1 3.41Å; W333-Y427 VanDerWaalsContact CZ2-CD1 3.41Å; W333-Y427 AromaticContact CZ2-CE1 3.54Å; W333-Y427 HydrophobicContact CZ2-CE1 3.54Å; W333-Y427 HydrophobicContact CZ2-CG 4.27Å; W333-Y427 HydrophobicContact CZ3-CD1 4.25Å; W333-Y427 HydrophobicContact CZ3-CE1 4.31Å; W333-Y427 AromaticContact NE1-CD1 3.6Å; W333-Y427 AromaticContact NE1-CG 3.74Å; E418-Y427 HydrophobicContact CG-CE2 3.92Å; E418-Y427 PolarHBondContact OE1-OH 3.26Å; A421-Y427 HydrophobicContact CB-CD2 3.97Å; A421-Y427 HydrophobicContact CB-CE2 4.49Å; A422-Y427 HydrophobicContact CB-CD2 4.07Å; A422-Y427 HydrophobicContact CB-CE2 4.06Å; A422-Y427 HydrophobicContact CB-CG 4.43Å; R424-Y427 PolarHBondContact O-N 3.18Å; S425-Y427 VanDerWaalsContact C-N 3.32Å; Y427-H429 VanDerWaalsContact C-N 3.31Å; Y427-H429 PolarHBondContact O-N 3.06Å; Y427-W430 HydrophobicContact CD2-CE3 4.04Å; Y427-W430 AromaticContact CE2-CE3 3.93Å; Y427-W430 HydrophobicContact CE2-CE3 3.93Å; Y427-W430 HydrophobicContact CE2-CZ3 4.05Å; Y427-W430 WeakPolarHBondContact O-CB 3.15Å; Y427-W430 PolarHBondContact O-N 2.8Å; Y427-G431 PolarHBondContact O-N 2.8Å
428I91.3Very high91.6Very high100 Ų10056.2 Ų56.251%0.51333%0.329SS..Hα-helixtrans-62-40.8179.9-58.5-60.7000111.1W333 D426 G431 A432W333-I428 HydrophobicContact CB-CG1 4.18Å; W333-I428 HydrophobicContact CD2-CD1 4.37Å; W333-I428 HydrophobicContact CE3-CD1 3.85Å; W333-I428 HydrophobicContact CE3-CG1 4.42Å; W333-I428 HydrophobicContact CZ3-CD1 4.34Å; D426-I428 VanDerWaalsContact C-N 3.32Å; D426-I428 PolarHBondContact O-N 2.91Å; I428-G431 PolarHBondContact O-N 3.23Å; I428-A432 PolarHBondContact O-N 3.31Å; I428-A432 VanDerWaalsContact O-N 3.1Å
429H92.7Very high91Very high137 Ų13758.2 Ų58.263%0.63435%0.348SS*.Hα-helixtrans-68.6-41.6175-65.4-61.1000111.8D426 Y427 G431 A432 Q433D426-H429 WeakPolarHBondContact O-CB 3.45Å; D426-H429 PolarHBondContact O-N 3.26Å; Y427-H429 VanDerWaalsContact C-N 3.31Å; Y427-H429 PolarHBondContact O-N 3.06Å; H429-G431 VanDerWaalsContact C-N 3.31Å; H429-G431 PolarHBondContact O-N 3.38Å; H429-A432 PolarHBondContact O-N 3.34Å; H429-Q433 WeakPolarHBondContact O-CG 3.31Å; H429-Q433 PolarHBondContact O-N 3.1Å
430W93.2Very high90.4Very high37 Ų3761.2 Ų61.214%0.1437%0.372CS..Hα-helixtrans-57.9-43.6174.7176.991.3000111.7E417 E418 A421 D426 Y427 Q433 R434E417-W430 HydrophobicContact CB-CZ2 4.32Å; E418-W430 VanDerWaalsContact CA-CH2 3.5Å; E418-W430 HydrophobicContact CB-CH2 3.7Å; E418-W430 HydrophobicContact CB-CZ3 4.04Å; E418-W430 HydrophobicContact CG-CH2 3.98Å; E418-W430 HydrophobicContact CG-CZ3 3.77Å; A421-W430 HydrophobicContact CB-CD2 3.47Å; A421-W430 VanDerWaalsContact CB-CD2 3.47Å; A421-W430 HydrophobicContact CB-CE3 3.77Å; A421-W430 HydrophobicContact CB-CG 3.87Å; A421-W430 HydrophobicContact CB-CH2 4.27Å; A421-W430 HydrophobicContact CB-CZ2 3.97Å; A421-W430 HydrophobicContact CB-CZ3 4.19Å; D426-W430 PolarHBondContact O-N 3Å; Y427-W430 HydrophobicContact CD2-CE3 4.04Å; Y427-W430 AromaticContact CE2-CE3 3.93Å; Y427-W430 HydrophobicContact CE2-CE3 3.93Å; Y427-W430 HydrophobicContact CE2-CZ3 4.05Å; Y427-W430 WeakPolarHBondContact O-CB 3.15Å; Y427-W430 PolarHBondContact O-N 2.8Å; W430-Q433 PolarHBondContact O-N 3.4Å; W430-R434 HydrophobicContact CH2-CG 4.45Å; W430-R434 HydrophobicContact CZ2-CG 4.29Å; W430-R434 PolarHBondContact O-N 2.78Å; W430-R434 VanDerWaalsContact O-N 3.1Å
431G89.4Confident89.8Confident27 Ų2763.8 Ų63.828%0.27839%0.387SS..Hα-helixtrans-63.4-45.5177.100000112.4Y427 I428 H429 Q433 R434 A435Y427-G431 PolarHBondContact O-N 2.8Å; I428-G431 PolarHBondContact O-N 3.23Å; H429-G431 VanDerWaalsContact C-N 3.31Å; H429-G431 PolarHBondContact O-N 3.38Å; G431-Q433 PolarHBondContact O-N 3.43Å; G431-R434 PolarHBondContact O-N 3.39Å; G431-A435 PolarHBondContact O-N 2.94Å
432A88.1Confident89.1Confident62 Ų6270 Ų7051%0.51242%0.416SS..Hα-helixtrans-61.6-41.4177.100000112.4I428 H429 A435 A436I428-A432 PolarHBondContact O-N 3.31Å; I428-A432 VanDerWaalsContact O-N 3.1Å; H429-A432 PolarHBondContact O-N 3.34Å; A432-A435 PolarHBondContact O-N 3.26Å; A432-A436 WeakPolarHBondContact O-CB 3.28Å; A432-A436 PolarHBondContact O-N 2.9Å
433Q90.6Very high88.4Confident140 Ų14073 Ų7365%0.65444%0.44SS*.Hα-helixtrans-62.9-42.2175.9-74175.6-9.500112.1H429 W430 G431 A436 A437H429-Q433 WeakPolarHBondContact O-CG 3.31Å; H429-Q433 PolarHBondContact O-N 3.1Å; W430-Q433 PolarHBondContact O-N 3.4Å; G431-Q433 PolarHBondContact O-N 3.43Å; Q433-A436 PolarHBondContact O-N 2.92Å; Q433-A437 WeakPolarHBondContact O-CB 3.41Å; Q433-A437 PolarHBondContact O-N 3.19Å
434R87.2Confident87.8Confident61 Ų6174.3 Ų74.323%0.2345%0.454CS..Hα-helixtrans-65.8-42.5176-73.9-161.276.9146.810112.3N414 E417 W430 G431 A436 A437 V438N414-R434 VanDerWaalsContact CG-NH2 3.32Å; N414-R434 PolarHBondContact OD1-NH2 3.05Å; E417-R434 IonicContact OE2-CZ 3.94Å; E417-R434 IonicContact OE2-NH1 2.89Å; E417-R434 PolarHBondContact OE2-NH1 3.06Å; E417-R434 IonicContact OE2-NH2 3.62Å; W430-R434 HydrophobicContact CH2-CG 4.45Å; W430-R434 HydrophobicContact CZ2-CG 4.29Å; W430-R434 PolarHBondContact O-N 2.78Å; W430-R434 VanDerWaalsContact O-N 3.1Å; G431-R434 PolarHBondContact O-N 3.39Å; R434-A436 VanDerWaalsContact C-N 3.33Å; R434-A436 PolarHBondContact O-N 3.27Å; R434-A437 PolarHBondContact O-N 3.41Å; R434-V438 WeakPolarHBondContact O-CG2 3.49Å; R434-V438 PolarHBondContact O-N 3Å
435A84.6Confident87.1Confident64 Ų6472.2 Ų72.253%0.52946%0.459SS..Hα-helixtrans-60.3-44.7176.900000111.3G431 A432 A437 V438 A439G431-A435 PolarHBondContact O-N 2.94Å; A432-A435 PolarHBondContact O-N 3.26Å; A435-A437 PolarHBondContact O-N 3.29Å; A435-V438 PolarHBondContact O-N 3.42Å; A435-A439 WeakPolarHBondContact O-CB 3.33Å; A435-A439 PolarHBondContact O-N 2.94Å
436A86Confident86.5Confident62 Ų6270.7 Ų70.751%0.51245%0.452SS..Hα-helixtrans-62.1-42175.500000112.5A432 Q433 R434 A439 A440A432-A436 WeakPolarHBondContact O-CB 3.28Å; A432-A436 PolarHBondContact O-N 2.9Å; Q433-A436 PolarHBondContact O-N 2.92Å; R434-A436 VanDerWaalsContact C-N 3.33Å; R434-A436 PolarHBondContact O-N 3.27Å; A436-A439 PolarHBondContact O-N 3.13Å; A436-A440 WeakPolarHBondContact O-CB 3.44Å; A436-A440 PolarHBondContact O-N 3.44Å
437A85.1Confident85.9Confident55 Ų5570.7 Ų70.746%0.45546%0.461SS..Hα-helixtrans-65-38.1177.400000113Q433 R434 A435 T441Q433-A437 WeakPolarHBondContact O-CB 3.41Å; Q433-A437 PolarHBondContact O-N 3.19Å; R434-A437 PolarHBondContact O-N 3.41Å; A435-A437 PolarHBondContact O-N 3.29Å; A437-T441 PolarHBondContact O-N 3.31Å; A437-T441 PolarHBondContact O-OG1 3.45Å
438V83.2Confident85.2Confident75 Ų7573.8 Ų73.846%0.45549%0.489SS..Hα-helixtrans-67.2-46.5175172.50000110.5R434 A435 A440 T441 Q442R434-V438 WeakPolarHBondContact O-CG2 3.49Å; R434-V438 PolarHBondContact O-N 3Å; A435-V438 PolarHBondContact O-N 3.42Å; V438-A440 VanDerWaalsContact C-N 3.32Å; V438-A440 PolarHBondContact O-N 3.46Å; V438-T441 PolarHBondContact O-N 3.12Å; V438-Q442 HydrophobicContact CG1-CG 4.4Å; V438-Q442 WeakPolarHBondContact O-CG 3.49Å; V438-Q442 PolarHBondContact O-N 3.37Å
439A82.8Confident84.6Confident53 Ų5372.8 Ų72.844%0.43850%0.495SS..Hα-helixtrans-60.5-40.8177.400000112.1A435 A436 Q442 A443A435-A439 WeakPolarHBondContact O-CB 3.33Å; A435-A439 PolarHBondContact O-N 2.94Å; A436-A439 PolarHBondContact O-N 3.13Å; A439-Q442 PolarHBondContact O-N 2.87Å; A439-A443 WeakPolarHBondContact O-CB 3.39Å; A439-A443 PolarHBondContact O-N 3.12Å
440A84Confident83.5Confident62 Ų6272.9 Ų72.951%0.51250%0.501SS..Hα-helixtrans-63.8-42.9175.400000112.2A436 V438 A443 A444A436-A440 WeakPolarHBondContact O-CB 3.44Å; A436-A440 PolarHBondContact O-N 3.44Å; V438-A440 VanDerWaalsContact C-N 3.32Å; V438-A440 PolarHBondContact O-N 3.46Å; A440-A443 PolarHBondContact O-N 3.45Å; A440-A444 WeakPolarHBondContact O-CB 2.9Å; A440-A444 PolarHBondContact O-N 3.05Å
441T82.3Confident81.8Confident98 Ų9875.8 Ų75.860%0.60152%0.524SS*.Hα-helixtrans-63.5-43.4175.7-54.60000111.5A437 V438 A444 A445A437-T441 PolarHBondContact O-N 3.31Å; A437-T441 PolarHBondContact O-OG1 3.45Å; V438-T441 PolarHBondContact O-N 3.12Å; T441-A444 PolarHBondContact O-N 3.09Å; T441-A445 WeakPolarHBondContact O-CB 3.49Å; T441-A445 PolarHBondContact O-N 3.37Å
442Q80.1Confident80.3Confident132 Ų13281.6 Ų81.662%0.61755%0.549SS*.Hα-helixtrans-64.6-42177-73.9177.2-12.400112V438 A439 A445 A446V438-Q442 HydrophobicContact CG1-CG 4.4Å; V438-Q442 WeakPolarHBondContact O-CG 3.49Å; V438-Q442 PolarHBondContact O-N 3.37Å; A439-Q442 PolarHBondContact O-N 2.87Å; Q442-A445 PolarHBondContact O-N 3.07Å; Q442-A446 WeakPolarHBondContact O-CB 3.33Å; Q442-A446 PolarHBondContact O-N 3.12Å
443A81.9Confident78.6Confident61 Ų6188.1 Ų88.150%0.50459%0.586SS.*Hα-helixtrans-63.9-41.6175.500000111.9A439 A440 A446 A447A439-A443 WeakPolarHBondContact O-CB 3.39Å; A439-A443 PolarHBondContact O-N 3.12Å; A440-A443 PolarHBondContact O-N 3.45Å; A443-A446 PolarHBondContact O-N 3.09Å; A443-A447 WeakPolarHBondContact O-CB 3.07Å; A443-A447 PolarHBondContact O-N 3.07Å
444A83.1Confident78Confident62 Ų6285.5 Ų85.551%0.51258%0.582SS.*Hα-helixtrans-65-40.7175.400000112.1A440 T441 A447 A448A440-A444 WeakPolarHBondContact O-CB 2.9Å; A440-A444 PolarHBondContact O-N 3.05Å; T441-A444 PolarHBondContact O-N 3.09Å; A444-A447 PolarHBondContact O-N 2.96Å; A444-A448 PolarHBondContact O-N 3.22Å; A444-A448 WeakPolarHBondContact O-CB 3.43Å
445A80.5Confident77.5Confident59 Ų5986.8 Ų86.849%0.48860%0.601SS.*Hα-helixtrans-65.6-41.8175.400000112T441 Q442 A448 A449T441-A445 WeakPolarHBondContact O-CB 3.49Å; T441-A445 PolarHBondContact O-N 3.37Å; Q442-A445 PolarHBondContact O-N 3.07Å; A445-A448 PolarHBondContact O-N 3.14Å; A445-A449 WeakPolarHBondContact O-CB 3.44Å; A445-A449 PolarHBondContact O-N 2.96Å
446A81.1Confident77.1Confident64 Ų6488.1 Ų88.153%0.52961%0.605SS.*Hα-helixtrans-63.9-41.7174.900000112Q442 A443 A449 N450Q442-A446 WeakPolarHBondContact O-CB 3.33Å; Q442-A446 PolarHBondContact O-N 3.12Å; A443-A446 PolarHBondContact O-N 3.09Å; A446-A449 PolarHBondContact O-N 3.11Å; A446-N450 PolarHBondContact O-N 3.11Å; A446-N450 VanDerWaalsContact O-N 3.12Å
447A82.6Confident76.6Confident66 Ų6689.6 Ų89.655%0.54561%0.61SS.*Hα-helixtrans-65.5-37.3174.700000112.3A443 A444 N450A443-A447 WeakPolarHBondContact O-CB 3.07Å; A443-A447 PolarHBondContact O-N 3.07Å; A444-A447 PolarHBondContact O-N 2.96Å; A447-N450 CarbonylContact O-C 3.59Å; A447-N450 PolarHBondContact O-N 3.28Å
448A80.4Confident76.1Confident73 Ų7391.8 Ų91.860%0.60362%0.62SS**Hα-helixtrans-72.1-31.7175.800000113.1A444 A445 N450 P451A444-A448 PolarHBondContact O-N 3.22Å; A444-A448 WeakPolarHBondContact O-CB 3.43Å; A445-A448 PolarHBondContact O-N 3.14Å; A448-N450 VanDerWaalsContact C-N 3.3Å; A448-P451 WeakPolarHBondContact O-CD 3.44Å
449A77.7Confident75.6Confident79 Ų7992.9 Ų92.965%0.65363%0.631SS**Hα-helixtrans-74.7-20.6175.400000112.9A445 A446 P451A445-A449 WeakPolarHBondContact O-CB 3.44Å; A445-A449 PolarHBondContact O-N 2.96Å; A446-A449 PolarHBondContact O-N 3.11Å; A449-P451 WeakPolarHBondContact O-CD 3.23Å
450N69.3Low75.1Confident139 Ų13995.7 Ų95.774%0.74365%0.645SS**SBendtrans-122.366.2177.2-1234.6000112.1A446 A447 A448 N452A446-N450 PolarHBondContact O-N 3.11Å; A446-N450 VanDerWaalsContact O-N 3.12Å; A447-N450 CarbonylContact O-C 3.59Å; A447-N450 PolarHBondContact O-N 3.28Å; A448-N450 VanDerWaalsContact C-N 3.3Å; N450-N452 VanDerWaalsContact C-N 3.34Å; N450-N452 PolarHBondContact O-N 2.86Å
451P58.2Low74.4Confident97 Ų9798.3 Ų98.363%0.6366%0.655SS**  trans-83.778.3177.834-30.1000109.9A448 A449A448-P451 WeakPolarHBondContact O-CD 3.44Å; A449-P451 WeakPolarHBondContact O-CD 3.23Å
452N57.5Low73.8Confident150 Ų15098.3 Ų98.380%0.80266%0.659SS**  trans-168.6137.9152.1-94.2-27.8000110.6N450N450-N452 VanDerWaalsContact C-N 3.34Å; N450-N452 PolarHBondContact O-N 2.86Å
453P52.7Low73.2Confident198 Ų19895.3 Ų95.3100%1.28666%0.663SS**  trans-70.60-172.830.6-35.6000114.6

Retrieved 453 of 453 residues in 682.3 ms (Link to these results)

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